N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine

C218H460N38O17S4 — CID 167671780

IUPACN-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine
SMILESCC(C)C(=O)N1CCN(C)CC1.CC(C)CC1(N)CCOCC1.CC(C)CCN1CCOCC1.CC(C)CN.CC(C)CN1CC(C2COC2)C1.CC(C)CN1CC(CC#N)C1.CC(C)CN1CC2(CCO2)C1.CC(C)CN1CC2(CCOC2)C1.CC(C)CN1CC2COCC2C1.CC(C)CN1CCC[C@@H]1CN.CC(C)CN1CCC[C@H]1CN.CC(C)CN1CCN(C(=O)CO)CC1.CC(C)CNC1CCNC1.CC(C)CNC1CCS(=O)C1.CC(C)CNCC1CC1.CC(C)CN[C@@H]1CCNC1.CC(C)CN[C@H]1CCNC1.CNCC(C)C.COC1CN(CC(C)C)C1.COCCNCC(C)C.CO[C@@H]1CCN(CC(C)C)C1.CO[C@H]1CCN(CC(C)C)C1.[C-]#[N+]C1CN(CC(C)C)C1.[H]N=S1(=O)CCC(NCC(C)C)CC1.[H]N=[S@@]1(=O)CC[C@H](NCC(C)C)C1.[H]N=[S@]1(=O)CC[C@@H](NCC(C)C)C1
InChIInChI=1S/C10H20N2O2.3C10H19NO.C9H20N2OS.C9H18N2O.C9H16N2.2C9H20N2.C9H17NO.4C9H19NO.2C8H18N2OS.C8H14N2.3C8H18N2.C8H17NOS.C8H17NO.C8H17N.C7H17NO.C5H13N.C4H11N/c1-9(2)7-11-3-5-12(6-4-11)10(14)8-13;1-8(2)3-11-4-9-6-12-7-10(9)5-11;1-8(2)3-11-4-9(5-11)10-6-12-7-10;1-9(2)5-11-6-10(7-11)3-4-12-8-10;1-8(2)7-11-9-3-5-13(10,12)6-4-9;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)5-11-6-9(7-11)3-4-10;2*1-8(2)7-11-5-3-4-9(11)6-10;1-8(2)5-10-6-9(7-10)3-4-11-9;2*1-8(2)6-10-5-4-9(7-10)11-3;1-8(2)7-9(10)3-5-11-6-4-9;1-9(2)3-4-10-5-7-11-8-6-10;2*1-7(2)5-10-8-3-4-12(9,11)6-8;1-7(2)4-10-5-8(6-10)9-3;3*1-7(2)5-10-8-3-4-9-6-8;1-7(2)5-9-8-3-4-11(10)6-8;1-7(2)4-9-5-8(6-9)10-3;1-7(2)5-9-6-8-3-4-8;1-7(2)6-8-4-5-9-3;1-5(2)4-6-3;1-4(2)3-5/h9,13H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;8H,4-7H2,1-3H3;8-9H,3,5-7H2,1-2H3;2*8-9H,3-7,10H2,1-2H3;8H,3-7H2,1-2H3;2*8-9H,4-7H2,1-3H3;8H,3-7,10H2,1-2H3;9H,3-8H2,1-2H3;2*7-10H,3-6H2,1-2H3;7-8H,4-6H2,1-2H3;3*7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;5-6H,4H2,1-3H3;4H,3,5H2,1-2H3/t;;;;;;;2*9-;;2*9-;;;2*8-,12+;;2*8-;;;;;;;/m.......10.10..10.10......./s1
InChIKeyUFLJHGDDWWVMMB-UYTFASGFSA-N
MW4014.59 g/mol
LogP26.65
Rot. Bonds71

About N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine

N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine (PubChem CID 167671780) has the molecular formula C218H460N38O17S4 and a molecular weight of 4014.59 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine
PubChem CID167671780
Molecular FormulaC218H460N38O17S4
Molecular Weight4014.59 g/mol
Exact Mass4011.52
IUPAC NameN-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine
SMILESCC(C)C(=O)N1CCN(C)CC1.CC(C)CC1(N)CCOCC1.CC(C)CCN1CCOCC1.CC(C)CN.CC(C)CN1CC(C2COC2)C1.CC(C)CN1CC(CC#N)C1.CC(C)CN1CC2(CCO2)C1.CC(C)CN1CC2(CCOC2)C1.CC(C)CN1CC2COCC2C1.CC(C)CN1CCC[C@@H]1CN.CC(C)CN1CCC[C@H]1CN.CC(C)CN1CCN(C(=O)CO)CC1.CC(C)CNC1CCNC1.CC(C)CNC1CCS(=O)C1.CC(C)CNCC1CC1.CC(C)CN[C@@H]1CCNC1.CC(C)CN[C@H]1CCNC1.CNCC(C)C.COC1CN(CC(C)C)C1.COCCNCC(C)C.CO[C@@H]1CCN(CC(C)C)C1.CO[C@H]1CCN(CC(C)C)C1.[C-]#[N+]C1CN(CC(C)C)C1.[H]N=S1(=O)CCC(NCC(C)C)CC1.[H]N=[S@@]1(=O)CC[C@H](NCC(C)C)C1.[H]N=[S@]1(=O)CC[C@@H](NCC(C)C)C1
InChIInChI=1S/C10H20N2O2.3C10H19NO.C9H20N2OS.C9H18N2O.C9H16N2.2C9H20N2.C9H17NO.4C9H19NO.2C8H18N2OS.C8H14N2.3C8H18N2.C8H17NOS.C8H17NO.C8H17N.C7H17NO.C5H13N.C4H11N/c1-9(2)7-11-3-5-12(6-4-11)10(14)8-13;1-8(2)3-11-4-9-6-12-7-10(9)5-11;1-8(2)3-11-4-9(5-11)10-6-12-7-10;1-9(2)5-11-6-10(7-11)3-4-12-8-10;1-8(2)7-11-9-3-5-13(10,12)6-4-9;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)5-11-6-9(7-11)3-4-10;2*1-8(2)7-11-5-3-4-9(11)6-10;1-8(2)5-10-6-9(7-10)3-4-11-9;2*1-8(2)6-10-5-4-9(7-10)11-3;1-8(2)7-9(10)3-5-11-6-4-9;1-9(2)3-4-10-5-7-11-8-6-10;2*1-7(2)5-10-8-3-4-12(9,11)6-8;1-7(2)4-10-5-8(6-10)9-3;3*1-7(2)5-10-8-3-4-9-6-8;1-7(2)5-9-8-3-4-11(10)6-8;1-7(2)4-9-5-8(6-9)10-3;1-7(2)5-9-6-8-3-4-8;1-7(2)6-8-4-5-9-3;1-5(2)4-6-3;1-4(2)3-5/h9,13H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;8H,4-7H2,1-3H3;8-9H,3,5-7H2,1-2H3;2*8-9H,3-7,10H2,1-2H3;8H,3-7H2,1-2H3;2*8-9H,4-7H2,1-3H3;8H,3-7,10H2,1-2H3;9H,3-8H2,1-2H3;2*7-10H,3-6H2,1-2H3;7-8H,4-6H2,1-2H3;3*7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;5-6H,4H2,1-3H3;4H,3,5H2,1-2H3/t;;;;;;;2*9-;;2*9-;;;2*8-,12+;;2*8-;;;;;;;/m.......10.10..10.10......./s1
InChIKeyUFLJHGDDWWVMMB-UYTFASGFSA-N
XLogP26.65
TPSA626.96 Ų
H-Bond Donors21
H-Bond Acceptors52
Rotatable Bonds71
Heavy Atoms277
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004014.59
LogP ≤ 526.65
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1052

Analyze N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine (CID 167671780) is N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine is CC(C)C(=O)N1CCN(C)CC1.CC(C)CC1(N)CCOCC1.CC(C)CCN1CCOCC1.CC(C)CN.CC(C)CN1CC(C2COC2)C1.CC(C)CN1CC(CC#N)C1.CC(C)CN1CC2(CCO2)C1.CC(C)CN1CC2(CCOC2)C1.CC(C)CN1CC2COCC2C1.CC(C)CN1CCC[C@@H]1CN.CC(C)CN1CCC[C@H]1CN.CC(C)CN1CCN(C(=O)CO)CC1.CC(C)CNC1CCNC1.CC(C)CNC1CCS(=O)C1.CC(C)CNCC1CC1.CC(C)CN[C@@H]1CCNC1.CC(C)CN[C@H]1CCNC1.CNCC(C)C.COC1CN(CC(C)C)C1.COCCNCC(C)C.CO[C@@H]1CCN(CC(C)C)C1.CO[C@H]1CCN(CC(C)C)C1.[C-]#[N+]C1CN(CC(C)C)C1.[H]N=S1(=O)CCC(NCC(C)C)CC1.[H]N=[S@@]1(=O)CC[C@H](NCC(C)C)C1.[H]N=[S@]1(=O)CC[C@@H](NCC(C)C)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine?
The InChIKey is UFLJHGDDWWVMMB-UYTFASGFSA-N. The full InChI is InChI=1S/C10H20N2O2.3C10H19NO.C9H20N2OS.C9H18N2O.C9H16N2.2C9H20N2.C9H17NO.4C9H19NO.2C8H18N2OS.C8H14N2.3C8H18N2.C8H17NOS.C8H17NO.C8H17N.C7H17NO.C5H13N.C4H11N/c1-9(2)7-11-3-5-12(6-4-11)10(14)8-13;1-8(2)3-11-4-9-6-12-7-10(9)5-11;1-8(2)3-11-4-9(5-11)10-6-12-7-10;1-9(2)5-11-6-10(7-11)3-4-12-8-10;1-8(2)7-11-9-3-5-13(10,12)6-4-9;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)5-11-6-9(7-11)3-4-10;2*1-8(2)7-11-5-3-4-9(11)6-10;1-8(2)5-10-6-9(7-10)3-4-11-9;2*1-8(2)6-10-5-4-9(7-10)11-3;1-8(2)7-9(10)3-5-11-6-4-9;1-9(2)3-4-10-5-7-11-8-6-10;2*1-7(2)5-10-8-3-4-12(9,11)6-8;1-7(2)4-10-5-8(6-10)9-3;3*1-7(2)5-10-8-3-4-9-6-8;1-7(2)5-9-8-3-4-11(10)6-8;1-7(2)4-9-5-8(6-9)10-3;1-7(2)5-9-6-8-3-4-8;1-7(2)6-8-4-5-9-3;1-5(2)4-6-3;1-4(2)3-5/h9,13H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;8H,4-7H2,1-3H3;8-9H,3,5-7H2,1-2H3;2*8-9H,3-7,10H2,1-2H3;8H,3-7H2,1-2H3;2*8-9H,4-7H2,1-3H3;8H,3-7,10H2,1-2H3;9H,3-8H2,1-2H3;2*7-10H,3-6H2,1-2H3;7-8H,4-6H2,1-2H3;3*7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;5-6H,4H2,1-3H3;4H,3,5H2,1-2H3/t;;;;;;;2*9-;;2*9-;;;2*8-,12+;;2*8-;;;;;;;/m.......10.10..10.10......./s1.
What are the key properties of N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine?
N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine has a molecular weight of 4014.59 g/mol, XLogP of 26.65, 71 rotatable bonds, 21 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methylpropan-1-amine;N,2-dimethylpropan-1-amine;2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;1-imino-N-(2-methylpropyl)-1-oxothian-4-amine;(1R,3S)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;(1S,3R)-1-imino-N-(2-methylpropyl)-1-oxothiolan-3-amine;3-isocyano-1-(2-methylpropyl)azetidine;N-(2-methoxyethyl)-2-methylpropan-1-amine;3-methoxy-1-(2-methylpropyl)azetidine;(3R)-3-methoxy-1-(2-methylpropyl)pyrrolidine;(3S)-3-methoxy-1-(2-methylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methylpropan-1-amine;5-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2-[1-(2-methylpropyl)azetidin-3-yl]acetonitrile;6-(2-methylpropyl)-1-oxa-6-azaspiro[3.3]heptane;2-(2-methylpropyl)-6-oxa-2-azaspiro[3.4]octane;4-(2-methylpropyl)oxan-4-amine;1-(2-methylpropyl)-3-(oxetan-3-yl)azetidine;N-(2-methylpropyl)-1-oxothiolan-3-amine;N-(2-methylpropyl)pyrrolidin-3-amine;(3R)-N-(2-methylpropyl)pyrrolidin-3-amine;(3S)-N-(2-methylpropyl)pyrrolidin-3-amine;[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine;[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 167671780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).