(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine

C280H585F8N65O26 — CID 162257087

IUPAC(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine
SMILESCC1(F)CCCN(CCO)C1.CC1(F)CCN(CCN)C1.CCO[C@@H]1CN(C)C[C@H]1O.CN.CN.CN(C)C1CNC1.CN(C)CCCO.CN(C)CCN.CN1CCC[C@@H]1CN.CN1CCC[C@H]1CN.CN1CC[C@@H](CN)C1.CN1CC[C@@H](CO)C1.CN1CC[C@H](CN)C1.CN1CC[C@H](CO)C1.CN1C[C@@H](O)[C@H](C(F)F)C1.CNC.CNCCN(C)C.CNCCN1CCC(C)(F)C1.CNCCN1CCCC(C)(F)C1.CNCCN1CCCC1.CNCCN1CCCCC1.CNCCN1CCCCC1.CNC[C@@H]1CCCN1C.CNC[C@@H]1CCCO1.CNC[C@@H]1CCN(C)C1.CNC[C@@H]1CCOC1.CNC[C@@H]1CCOC1.CNC[C@H]1CCCN1C.CNC[C@H]1CCCO1.CNC[C@H]1CCN(C)C1.COCc1cccnc1.C[C@H]1CN(C)C[C@@H]1O.NCCN1CCCC(F)(F)C1.NCCN1CCCC1.NCCN1CCCCC1.NCCN1CCCCC1.NC[C@@H]1CCCO1.NC[C@H]1CCCO1.OCC1=CN=CC1.OCC1=NC=CC1.OC[C@@H]1CCCO1.OC[C@H]1CCCO1.OCc1ccccc1.OCc1ccccc1.OCc1ccccn1.OCc1ccccn1.OCc1cncnc1
InChIInChI=1S/C9H19FN2.C8H17FN2.C8H16FNO.2C8H18N2.C7H14F2N2.C7H15FN2.7C7H16N2.C7H15NO2.C7H9NO.2C7H8O.C6H11F2NO.5C6H14N2.7C6H13NO.2C6H7NO.C5H6N2O.C5H12N2.C5H14N2.C5H7NO.2C5H11NO.C5H7NO.C5H13NO.2C5H10O2.C4H12N2.C2H7N.2CH5N/c1-9(10)4-3-6-12(8-9)7-5-11-2;1-8(9)3-5-11(7-8)6-4-10-2;1-8(9)3-2-4-10(7-8)5-6-11;2*1-9-5-8-10-6-3-2-4-7-10;8-7(9)2-1-4-11(6-7)5-3-10;1-7(8)2-4-10(6-7)5-3-9;2*1-8-5-7-3-4-9(2)6-7;2*1-8-6-7-4-3-5-9(7)2;1-8-4-7-9-5-2-3-6-9;2*8-4-7-9-5-2-1-3-6-9;1-3-10-7-5-8(2)4-6(7)9;1-9-6-7-3-2-4-8-5-7;2*8-6-7-4-2-1-3-5-7;1-9-2-4(6(7)8)5(10)3-9;2*1-8-3-2-6(4-7)5-8;2*1-8-4-2-3-6(8)5-7;7-3-6-8-4-1-2-5-8;1-5-3-7(2)4-6(5)8;2*1-7-4-6-2-3-8-5-6;2*1-7-3-2-6(4-7)5-8;2*1-7-5-6-3-2-4-8-6;2*8-5-6-3-1-2-4-7-6;8-3-5-1-6-4-7-2-5;1-7(2)5-3-6-4-5;1-6-4-5-7(2)3;7-4-5-1-2-6-3-5;2*6-4-5-2-1-3-7-5;7-4-5-2-1-3-6-5;1-6(2)4-3-5-7;2*6-4-5-2-1-3-7-5;1-6(2)4-3-5;1-3-2;2*1-2/h11H,3-8H2,1-2H3;10H,3-7H2,1-2H3;11H,2-7H2,1H3;2*9H,2-8H2,1H3;1-6,10H2;2-6,9H2,1H3;4*7-8H,3-6H2,1-2H3;8H,2-7H2,1H3;2*1-8H2;6-7,9H,3-5H2,1-2H3;2-5H,6H2,1H3;2*1-5,8H,6H2;4-6,10H,2-3H2,1H3;4*6H,2-5,7H2,1H3;1-7H2;5-6,8H,3-4H2,1-2H3;2*6-7H,2-5H2,1H3;2*6,8H,2-5H2,1H3;2*6-7H,2-5H2,1H3;2*1-4,8H,5H2;1-2,4,8H,3H2;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;2-3,7H,1,4H2;2*5H,1-4,6H2;1,3,7H,2,4H2;7H,3-5H2,1-2H3;2*5-6H,1-4H2;3-5H2,1-2H3;3H,1-2H3;2*2H2,1H3/t;;;;;;;4*7-;;;;6-,7-;;;;4-,5-;4*6-;;5-,6-;6*6-;;;;;;;2*5-;;;2*5-;;;;/m.......1010...1...11010.0001010......10..10..../s1
InChIKeyZYSVGRODIPGCHP-PKBBQTFCSA-N
MW5431.17 g/mol
LogP11.47
Rot. Bonds74

About (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine

(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 162257087) has the molecular formula C280H585F8N65O26 and a molecular weight of 5431.17 g/mol. Its IUPAC name is (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Name(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine
PubChem CID162257087
Molecular FormulaC280H585F8N65O26
Molecular Weight5431.17 g/mol
Exact Mass5427.63
IUPAC Name(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine
SMILESCC1(F)CCCN(CCO)C1.CC1(F)CCN(CCN)C1.CCO[C@@H]1CN(C)C[C@H]1O.CN.CN.CN(C)C1CNC1.CN(C)CCCO.CN(C)CCN.CN1CCC[C@@H]1CN.CN1CCC[C@H]1CN.CN1CC[C@@H](CN)C1.CN1CC[C@@H](CO)C1.CN1CC[C@H](CN)C1.CN1CC[C@H](CO)C1.CN1C[C@@H](O)[C@H](C(F)F)C1.CNC.CNCCN(C)C.CNCCN1CCC(C)(F)C1.CNCCN1CCCC(C)(F)C1.CNCCN1CCCC1.CNCCN1CCCCC1.CNCCN1CCCCC1.CNC[C@@H]1CCCN1C.CNC[C@@H]1CCCO1.CNC[C@@H]1CCN(C)C1.CNC[C@@H]1CCOC1.CNC[C@@H]1CCOC1.CNC[C@H]1CCCN1C.CNC[C@H]1CCCO1.CNC[C@H]1CCN(C)C1.COCc1cccnc1.C[C@H]1CN(C)C[C@@H]1O.NCCN1CCCC(F)(F)C1.NCCN1CCCC1.NCCN1CCCCC1.NCCN1CCCCC1.NC[C@@H]1CCCO1.NC[C@H]1CCCO1.OCC1=CN=CC1.OCC1=NC=CC1.OC[C@@H]1CCCO1.OC[C@H]1CCCO1.OCc1ccccc1.OCc1ccccc1.OCc1ccccn1.OCc1ccccn1.OCc1cncnc1
InChIInChI=1S/C9H19FN2.C8H17FN2.C8H16FNO.2C8H18N2.C7H14F2N2.C7H15FN2.7C7H16N2.C7H15NO2.C7H9NO.2C7H8O.C6H11F2NO.5C6H14N2.7C6H13NO.2C6H7NO.C5H6N2O.C5H12N2.C5H14N2.C5H7NO.2C5H11NO.C5H7NO.C5H13NO.2C5H10O2.C4H12N2.C2H7N.2CH5N/c1-9(10)4-3-6-12(8-9)7-5-11-2;1-8(9)3-5-11(7-8)6-4-10-2;1-8(9)3-2-4-10(7-8)5-6-11;2*1-9-5-8-10-6-3-2-4-7-10;8-7(9)2-1-4-11(6-7)5-3-10;1-7(8)2-4-10(6-7)5-3-9;2*1-8-5-7-3-4-9(2)6-7;2*1-8-6-7-4-3-5-9(7)2;1-8-4-7-9-5-2-3-6-9;2*8-4-7-9-5-2-1-3-6-9;1-3-10-7-5-8(2)4-6(7)9;1-9-6-7-3-2-4-8-5-7;2*8-6-7-4-2-1-3-5-7;1-9-2-4(6(7)8)5(10)3-9;2*1-8-3-2-6(4-7)5-8;2*1-8-4-2-3-6(8)5-7;7-3-6-8-4-1-2-5-8;1-5-3-7(2)4-6(5)8;2*1-7-4-6-2-3-8-5-6;2*1-7-3-2-6(4-7)5-8;2*1-7-5-6-3-2-4-8-6;2*8-5-6-3-1-2-4-7-6;8-3-5-1-6-4-7-2-5;1-7(2)5-3-6-4-5;1-6-4-5-7(2)3;7-4-5-1-2-6-3-5;2*6-4-5-2-1-3-7-5;7-4-5-2-1-3-6-5;1-6(2)4-3-5-7;2*6-4-5-2-1-3-7-5;1-6(2)4-3-5;1-3-2;2*1-2/h11H,3-8H2,1-2H3;10H,3-7H2,1-2H3;11H,2-7H2,1H3;2*9H,2-8H2,1H3;1-6,10H2;2-6,9H2,1H3;4*7-8H,3-6H2,1-2H3;8H,2-7H2,1H3;2*1-8H2;6-7,9H,3-5H2,1-2H3;2-5H,6H2,1H3;2*1-5,8H,6H2;4-6,10H,2-3H2,1H3;4*6H,2-5,7H2,1H3;1-7H2;5-6,8H,3-4H2,1-2H3;2*6-7H,2-5H2,1H3;2*6,8H,2-5H2,1H3;2*6-7H,2-5H2,1H3;2*1-4,8H,5H2;1-2,4,8H,3H2;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;2-3,7H,1,4H2;2*5H,1-4,6H2;1,3,7H,2,4H2;7H,3-5H2,1-2H3;2*5-6H,1-4H2;3-5H2,1-2H3;3H,1-2H3;2*2H2,1H3/t;;;;;;;4*7-;;;;6-,7-;;;;4-,5-;4*6-;;5-,6-;6*6-;;;;;;;2*5-;;;2*5-;;;;/m.......1010...1...11010.0001010......10..10..../s1
InChIKeyZYSVGRODIPGCHP-PKBBQTFCSA-N
XLogP11.47
TPSA1152.63 Ų
H-Bond Donors46
H-Bond Acceptors91
Rotatable Bonds74
Heavy Atoms379
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005431.17
LogP ≤ 511.47
H-Bond Donors ≤ 546
H-Bond Acceptors ≤ 1091

Analyze (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine (CID 162257087) is (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine is CC1(F)CCCN(CCO)C1.CC1(F)CCN(CCN)C1.CCO[C@@H]1CN(C)C[C@H]1O.CN.CN.CN(C)C1CNC1.CN(C)CCCO.CN(C)CCN.CN1CCC[C@@H]1CN.CN1CCC[C@H]1CN.CN1CC[C@@H](CN)C1.CN1CC[C@@H](CO)C1.CN1CC[C@H](CN)C1.CN1CC[C@H](CO)C1.CN1C[C@@H](O)[C@H](C(F)F)C1.CNC.CNCCN(C)C.CNCCN1CCC(C)(F)C1.CNCCN1CCCC(C)(F)C1.CNCCN1CCCC1.CNCCN1CCCCC1.CNCCN1CCCCC1.CNC[C@@H]1CCCN1C.CNC[C@@H]1CCCO1.CNC[C@@H]1CCN(C)C1.CNC[C@@H]1CCOC1.CNC[C@@H]1CCOC1.CNC[C@H]1CCCN1C.CNC[C@H]1CCCO1.CNC[C@H]1CCN(C)C1.COCc1cccnc1.C[C@H]1CN(C)C[C@@H]1O.NCCN1CCCC(F)(F)C1.NCCN1CCCC1.NCCN1CCCCC1.NCCN1CCCCC1.NC[C@@H]1CCCO1.NC[C@H]1CCCO1.OCC1=CN=CC1.OCC1=NC=CC1.OC[C@@H]1CCCO1.OC[C@H]1CCCO1.OCc1ccccc1.OCc1ccccc1.OCc1ccccn1.OCc1ccccn1.OCc1cncnc1.
What is the InChIKey of (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is ZYSVGRODIPGCHP-PKBBQTFCSA-N. The full InChI is InChI=1S/C9H19FN2.C8H17FN2.C8H16FNO.2C8H18N2.C7H14F2N2.C7H15FN2.7C7H16N2.C7H15NO2.C7H9NO.2C7H8O.C6H11F2NO.5C6H14N2.7C6H13NO.2C6H7NO.C5H6N2O.C5H12N2.C5H14N2.C5H7NO.2C5H11NO.C5H7NO.C5H13NO.2C5H10O2.C4H12N2.C2H7N.2CH5N/c1-9(10)4-3-6-12(8-9)7-5-11-2;1-8(9)3-5-11(7-8)6-4-10-2;1-8(9)3-2-4-10(7-8)5-6-11;2*1-9-5-8-10-6-3-2-4-7-10;8-7(9)2-1-4-11(6-7)5-3-10;1-7(8)2-4-10(6-7)5-3-9;2*1-8-5-7-3-4-9(2)6-7;2*1-8-6-7-4-3-5-9(7)2;1-8-4-7-9-5-2-3-6-9;2*8-4-7-9-5-2-1-3-6-9;1-3-10-7-5-8(2)4-6(7)9;1-9-6-7-3-2-4-8-5-7;2*8-6-7-4-2-1-3-5-7;1-9-2-4(6(7)8)5(10)3-9;2*1-8-3-2-6(4-7)5-8;2*1-8-4-2-3-6(8)5-7;7-3-6-8-4-1-2-5-8;1-5-3-7(2)4-6(5)8;2*1-7-4-6-2-3-8-5-6;2*1-7-3-2-6(4-7)5-8;2*1-7-5-6-3-2-4-8-6;2*8-5-6-3-1-2-4-7-6;8-3-5-1-6-4-7-2-5;1-7(2)5-3-6-4-5;1-6-4-5-7(2)3;7-4-5-1-2-6-3-5;2*6-4-5-2-1-3-7-5;7-4-5-2-1-3-6-5;1-6(2)4-3-5-7;2*6-4-5-2-1-3-7-5;1-6(2)4-3-5;1-3-2;2*1-2/h11H,3-8H2,1-2H3;10H,3-7H2,1-2H3;11H,2-7H2,1H3;2*9H,2-8H2,1H3;1-6,10H2;2-6,9H2,1H3;4*7-8H,3-6H2,1-2H3;8H,2-7H2,1H3;2*1-8H2;6-7,9H,3-5H2,1-2H3;2-5H,6H2,1H3;2*1-5,8H,6H2;4-6,10H,2-3H2,1H3;4*6H,2-5,7H2,1H3;1-7H2;5-6,8H,3-4H2,1-2H3;2*6-7H,2-5H2,1H3;2*6,8H,2-5H2,1H3;2*6-7H,2-5H2,1H3;2*1-4,8H,5H2;1-2,4,8H,3H2;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;2-3,7H,1,4H2;2*5H,1-4,6H2;1,3,7H,2,4H2;7H,3-5H2,1-2H3;2*5-6H,1-4H2;3-5H2,1-2H3;3H,1-2H3;2*2H2,1H3/t;;;;;;;4*7-;;;;6-,7-;;;;4-,5-;4*6-;;5-,6-;6*6-;;;;;;;2*5-;;;2*5-;;;;/m.......1010...1...11010.0001010......10..10..../s1.
What are the key properties of (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine?
(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 5431.17 g/mol, XLogP of 11.47, 74 rotatable bonds, 46 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol;2-(3,3-difluoropiperidin-1-yl)ethanamine;3-(dimethylamino)propan-1-ol;N,N-dimethylazetidin-3-amine;N',N'-dimethylethane-1,2-diamine;(3R,4S)-1,4-dimethylpyrrolidin-3-ol;(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-ol;2-(3-fluoro-3-methylpiperidin-1-yl)ethanol;2-(3-fluoro-3-methylpiperidin-1-yl)-N-methylethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)ethanamine;2-(3-fluoro-3-methylpyrrolidin-1-yl)-N-methylethanamine;methanamine;3-(methoxymethyl)pyridine;N-methylmethanamine;N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]methanamine;N-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;bis(N-methyl-1-[(3S)-oxolan-3-yl]methanamine);bis(N-methyl-2-piperidin-1-ylethanamine);N-methyl-2-pyrrolidin-1-ylethanamine;[(2S)-1-methylpyrrolidin-2-yl]methanamine;[(2R)-1-methylpyrrolidin-2-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanamine;[(3S)-1-methylpyrrolidin-3-yl]methanamine;[(3R)-1-methylpyrrolidin-3-yl]methanol;[(3S)-1-methylpyrrolidin-3-yl]methanol;[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine;[(2S)-oxolan-2-yl]methanol;[(2R)-oxolan-2-yl]methanol;phenylmethanol;bis(2-piperidin-1-ylethanamine);bis(pyridin-2-ylmethanol);pyrimidin-5-ylmethanol;2-pyrrolidin-1-ylethanamine;3H-pyrrol-2-ylmethanol;3H-pyrrol-4-ylmethanol;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 162257087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).