(1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine

C191H441N29O7S — CID 167670221

IUPAC(1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)N1CCC(NC(C)C)CC1.CC(C)NC(C)CC1CCC(O)CC1.CC(C)NC1(N(C)C)C[C@@H](C)O[C@@H](C)C1.CC(C)NC1CCN(C2CC2)CC1.CC(C)NCC1CCCCC1.CC(C)NCC1CCN(C)CC1.CC(C)NCN1CCCCC1.CC(C)NCN1CCN(C)CC1.CC(C)NCN1CCOCC1.CC(C)NCN1C[C@H](CO)OC[C@H]1C.CC(C)NCSC(C)C.CC(C)N[C@@H](N)C1CC1.CC(C)N[C@H](C1CCC1)N(C)C.CC(C)Nc1ccccc1.CC(C)Nc1ccncc1.COC1CCN([C@H](C)CNC(C)C)CC1
InChIInChI=1S/2C12H26N2O.C12H25NO.C11H22N2.C10H22N2O2.C10H20N2O.2C10H22N2.C10H21N.C9H21N3.C9H20N2.C9H13N.C8H18N2O.C8H12N2.C7H16N2.C7H17NS.15C2H6.7CH4/c1-9(2)13-12(14(5)6)7-10(3)15-11(4)8-12;1-10(2)13-9-11(3)14-7-5-12(15-4)6-8-14;1-9(2)13-10(3)8-11-4-6-12(14)7-5-11;1-9(2)12-10-5-7-13(8-6-10)11-3-4-11;1-8(2)11-7-12-4-10(5-13)14-6-9(12)3;1-8(2)11-10-4-6-12(7-5-10)9(3)13;1-8(2)11-10(12(3)4)9-6-5-7-9;1-9(2)11-8-10-4-6-12(3)7-5-10;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)10-8-12-6-4-11(3)5-7-12;1-9(2)10-8-11-6-4-3-5-7-11;1-8(2)10-9-6-4-3-5-7-9;1-8(2)9-7-10-3-5-11-6-4-10;1-7(2)10-8-3-5-9-6-4-8;1-5(2)9-7(8)6-3-4-6;1-6(2)8-5-9-7(3)4;15*1-2;;;;;;;/h9-11,13H,7-8H2,1-6H3;10-13H,5-9H2,1-4H3;9-14H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3;8-11,13H,4-7H2,1-3H3;8,10-11H,4-7H2,1-3H3;8-11H,5-7H2,1-4H3;9-11H,4-8H2,1-3H3;9-11H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;3-8,10H,1-2H3;8-9H,3-7H2,1-2H3;3-7H,1-2H3,(H,9,10);5-7,9H,3-4,8H2,1-2H3;6-8H,5H2,1-4H3;15*1-2H3;7*1H4/t10-,11+,12?;11-;;;9-,10-;;10-;;;;;;;;7-;;;;;;;;;;;;;;;;;;;;;;;/m.1..1.0.......1......................./s1
InChIKeyTZLMSNCTPKQXQT-DBFXFNLRSA-N
MW3288.89 g/mol
LogP42.73
Rot. Bonds51

About (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine

(1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine (PubChem CID 167670221) has the molecular formula C191H441N29O7S and a molecular weight of 3288.89 g/mol. Its IUPAC name is (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine.

Molecular Properties

Compound Name(1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine
PubChem CID167670221
Molecular FormulaC191H441N29O7S
Molecular Weight3288.89 g/mol
Exact Mass3286.48
IUPAC Name(1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)N1CCC(NC(C)C)CC1.CC(C)NC(C)CC1CCC(O)CC1.CC(C)NC1(N(C)C)C[C@@H](C)O[C@@H](C)C1.CC(C)NC1CCN(C2CC2)CC1.CC(C)NCC1CCCCC1.CC(C)NCC1CCN(C)CC1.CC(C)NCN1CCCCC1.CC(C)NCN1CCN(C)CC1.CC(C)NCN1CCOCC1.CC(C)NCN1C[C@H](CO)OC[C@H]1C.CC(C)NCSC(C)C.CC(C)N[C@@H](N)C1CC1.CC(C)N[C@H](C1CCC1)N(C)C.CC(C)Nc1ccccc1.CC(C)Nc1ccncc1.COC1CCN([C@H](C)CNC(C)C)CC1
InChIInChI=1S/2C12H26N2O.C12H25NO.C11H22N2.C10H22N2O2.C10H20N2O.2C10H22N2.C10H21N.C9H21N3.C9H20N2.C9H13N.C8H18N2O.C8H12N2.C7H16N2.C7H17NS.15C2H6.7CH4/c1-9(2)13-12(14(5)6)7-10(3)15-11(4)8-12;1-10(2)13-9-11(3)14-7-5-12(15-4)6-8-14;1-9(2)13-10(3)8-11-4-6-12(14)7-5-11;1-9(2)12-10-5-7-13(8-6-10)11-3-4-11;1-8(2)11-7-12-4-10(5-13)14-6-9(12)3;1-8(2)11-10-4-6-12(7-5-10)9(3)13;1-8(2)11-10(12(3)4)9-6-5-7-9;1-9(2)11-8-10-4-6-12(3)7-5-10;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)10-8-12-6-4-11(3)5-7-12;1-9(2)10-8-11-6-4-3-5-7-11;1-8(2)10-9-6-4-3-5-7-9;1-8(2)9-7-10-3-5-11-6-4-10;1-7(2)10-8-3-5-9-6-4-8;1-5(2)9-7(8)6-3-4-6;1-6(2)8-5-9-7(3)4;15*1-2;;;;;;;/h9-11,13H,7-8H2,1-6H3;10-13H,5-9H2,1-4H3;9-14H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3;8-11,13H,4-7H2,1-3H3;8,10-11H,4-7H2,1-3H3;8-11H,5-7H2,1-4H3;9-11H,4-8H2,1-3H3;9-11H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;3-8,10H,1-2H3;8-9H,3-7H2,1-2H3;3-7H,1-2H3,(H,9,10);5-7,9H,3-4,8H2,1-2H3;6-8H,5H2,1-4H3;15*1-2H3;7*1H4/t10-,11+,12?;11-;;;9-,10-;;10-;;;;;;;;7-;;;;;;;;;;;;;;;;;;;;;;;/m.1..1.0.......1......................./s1
InChIKeyTZLMSNCTPKQXQT-DBFXFNLRSA-N
XLogP42.73
TPSA361.48 Ų
H-Bond Donors19
H-Bond Acceptors36
Rotatable Bonds51
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003288.89
LogP ≤ 542.73
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine?
The IUPAC name of (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine (CID 167670221) is (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine.
What is the SMILES notation for (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine?
The canonical SMILES for (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine is C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)N1CCC(NC(C)C)CC1.CC(C)NC(C)CC1CCC(O)CC1.CC(C)NC1(N(C)C)C[C@@H](C)O[C@@H](C)C1.CC(C)NC1CCN(C2CC2)CC1.CC(C)NCC1CCCCC1.CC(C)NCC1CCN(C)CC1.CC(C)NCN1CCCCC1.CC(C)NCN1CCN(C)CC1.CC(C)NCN1CCOCC1.CC(C)NCN1C[C@H](CO)OC[C@H]1C.CC(C)NCSC(C)C.CC(C)N[C@@H](N)C1CC1.CC(C)N[C@H](C1CCC1)N(C)C.CC(C)Nc1ccccc1.CC(C)Nc1ccncc1.COC1CCN([C@H](C)CNC(C)C)CC1.
What is the InChIKey of (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine?
The InChIKey is TZLMSNCTPKQXQT-DBFXFNLRSA-N. The full InChI is InChI=1S/2C12H26N2O.C12H25NO.C11H22N2.C10H22N2O2.C10H20N2O.2C10H22N2.C10H21N.C9H21N3.C9H20N2.C9H13N.C8H18N2O.C8H12N2.C7H16N2.C7H17NS.15C2H6.7CH4/c1-9(2)13-12(14(5)6)7-10(3)15-11(4)8-12;1-10(2)13-9-11(3)14-7-5-12(15-4)6-8-14;1-9(2)13-10(3)8-11-4-6-12(14)7-5-11;1-9(2)12-10-5-7-13(8-6-10)11-3-4-11;1-8(2)11-7-12-4-10(5-13)14-6-9(12)3;1-8(2)11-10-4-6-12(7-5-10)9(3)13;1-8(2)11-10(12(3)4)9-6-5-7-9;1-9(2)11-8-10-4-6-12(3)7-5-10;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)10-8-12-6-4-11(3)5-7-12;1-9(2)10-8-11-6-4-3-5-7-11;1-8(2)10-9-6-4-3-5-7-9;1-8(2)9-7-10-3-5-11-6-4-10;1-7(2)10-8-3-5-9-6-4-8;1-5(2)9-7(8)6-3-4-6;1-6(2)8-5-9-7(3)4;15*1-2;;;;;;;/h9-11,13H,7-8H2,1-6H3;10-13H,5-9H2,1-4H3;9-14H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3;8-11,13H,4-7H2,1-3H3;8,10-11H,4-7H2,1-3H3;8-11H,5-7H2,1-4H3;9-11H,4-8H2,1-3H3;9-11H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;3-8,10H,1-2H3;8-9H,3-7H2,1-2H3;3-7H,1-2H3,(H,9,10);5-7,9H,3-4,8H2,1-2H3;6-8H,5H2,1-4H3;15*1-2H3;7*1H4/t10-,11+,12?;11-;;;9-,10-;;10-;;;;;;;;7-;;;;;;;;;;;;;;;;;;;;;;;/m.1..1.0.......1......................./s1.
What are the key properties of (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine?
(1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine has a molecular weight of 3288.89 g/mol, XLogP of 42.73, 51 rotatable bonds, 19 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclobutyl-N',N'-dimethyl-N-propan-2-ylmethanediamine;N-(cyclohexylmethyl)propan-2-amine;(1R)-1-cyclopropyl-N'-propan-2-ylmethanediamine;1-cyclopropyl-N-propan-2-ylpiperidin-4-amine;ethane;methane;(2R)-2-(4-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine;N-[(4-methylpiperazin-1-yl)methyl]propan-2-amine;N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol;N-(morpholin-4-ylmethyl)propan-2-amine;N-(piperidin-1-ylmethyl)propan-2-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-[2-(propan-2-ylamino)propyl]cyclohexan-1-ol;N-propan-2-ylaniline;N-propan-2-ylpyridin-4-amine;N-(propan-2-ylsulfanylmethyl)propan-2-amine;(2S,6R)-4-N',4-N',2,6-tetramethyl-4-N-propan-2-yloxane-4,4-diamine is sourced from PubChem (CID 167670221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).