tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine

C146H267Cl2N23O17 — CID 161353542

IUPACtert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine
SMILESC.C.C.C.C.C.C.C#CCNC.CCCCNC.CCC[C@H](NC)C(=O)OC.CCOC(=O)C(C)NC.CNC(CC(C)=O)C(=O)OC(C)(C)C.CNC1CCCCN(CC(=O)N2CCCC2)C1=O.CNCC(=O)c1ccccc1.CNCCN1CCCCC1.CNCCc1ccccc1.CNCCc1ccccn1.CNC[C@@H]1CCCO1.CNC[C@H]1CCCO1.CNCc1cc(C)nc(Cl)c1.CNCc1ccnc(Cl)c1.CN[C@H](C(=O)O)c1ccc(C)cc1.COCCN1CCCCC1.COCc1ccccc1.COCc1ccccn1
InChIInChI=1S/C13H23N3O2.C10H19NO3.C10H13NO2.C9H11NO.C9H13N.C8H11ClN2.C8H12N2.C8H18N2.C8H17NO.C8H10O.C7H9ClN2.C7H15NO2.C7H9NO.C6H13NO2.2C6H13NO.C5H13N.C4H7N.7CH4/c1-14-11-6-2-3-9-16(13(11)18)10-12(17)15-7-4-5-8-15;1-7(12)6-8(11-5)9(13)14-10(2,3)4;1-7-3-5-8(6-4-7)9(11-2)10(12)13;1-10-7-9(11)8-5-3-2-4-6-8;1-10-8-7-9-5-3-2-4-6-9;1-6-3-7(5-10-2)4-8(9)11-6;1-9-7-5-8-4-2-3-6-10-8;1-9-5-8-10-6-3-2-4-7-10;1-10-8-7-9-5-3-2-4-6-9;1-9-7-8-5-3-2-4-6-8;1-9-5-6-2-3-10-7(8)4-6;1-4-5-6(8-2)7(9)10-3;1-9-6-7-4-2-3-5-8-7;1-4-9-6(8)5(2)7-3;2*1-7-5-6-3-2-4-8-6;1-3-4-5-6-2;1-3-4-5-2;;;;;;;/h11,14H,2-10H2,1H3;8,11H,6H2,1-5H3;3-6,9,11H,1-2H3,(H,12,13);2-6,10H,7H2,1H3;2-6,10H,7-8H2,1H3;3-4,10H,5H2,1-2H3;2-4,6,9H,5,7H2,1H3;9H,2-8H2,1H3;2-8H2,1H3;2-6H,7H2,1H3;2-4,9H,5H2,1H3;6,8H,4-5H2,1-3H3;2-5H,6H2,1H3;5,7H,4H2,1-3H3;2*6-7H,2-5H2,1H3;6H,3-5H2,1-2H3;1,5H,4H2,2H3;7*1H4/t;;9-;;;;;;;;;6-;;;2*6-;;;;;;;;;/m..0........0..10........./s1
InChIKeyVOFUSVJEQOVNKE-JVVPOIBOSA-N
MW2687.79 g/mol
LogP20.69
Rot. Bonds48

About tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine

tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine (PubChem CID 161353542) has the molecular formula C146H267Cl2N23O17 and a molecular weight of 2687.79 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine
PubChem CID161353542
Molecular FormulaC146H267Cl2N23O17
Molecular Weight2687.79 g/mol
Exact Mass2685.01
IUPAC Nametert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine
SMILESC.C.C.C.C.C.C.C#CCNC.CCCCNC.CCC[C@H](NC)C(=O)OC.CCOC(=O)C(C)NC.CNC(CC(C)=O)C(=O)OC(C)(C)C.CNC1CCCCN(CC(=O)N2CCCC2)C1=O.CNCC(=O)c1ccccc1.CNCCN1CCCCC1.CNCCc1ccccc1.CNCCc1ccccn1.CNC[C@@H]1CCCO1.CNC[C@H]1CCCO1.CNCc1cc(C)nc(Cl)c1.CNCc1ccnc(Cl)c1.CN[C@H](C(=O)O)c1ccc(C)cc1.COCCN1CCCCC1.COCc1ccccc1.COCc1ccccn1
InChIInChI=1S/C13H23N3O2.C10H19NO3.C10H13NO2.C9H11NO.C9H13N.C8H11ClN2.C8H12N2.C8H18N2.C8H17NO.C8H10O.C7H9ClN2.C7H15NO2.C7H9NO.C6H13NO2.2C6H13NO.C5H13N.C4H7N.7CH4/c1-14-11-6-2-3-9-16(13(11)18)10-12(17)15-7-4-5-8-15;1-7(12)6-8(11-5)9(13)14-10(2,3)4;1-7-3-5-8(6-4-7)9(11-2)10(12)13;1-10-7-9(11)8-5-3-2-4-6-8;1-10-8-7-9-5-3-2-4-6-9;1-6-3-7(5-10-2)4-8(9)11-6;1-9-7-5-8-4-2-3-6-10-8;1-9-5-8-10-6-3-2-4-7-10;1-10-8-7-9-5-3-2-4-6-9;1-9-7-8-5-3-2-4-6-8;1-9-5-6-2-3-10-7(8)4-6;1-4-5-6(8-2)7(9)10-3;1-9-6-7-4-2-3-5-8-7;1-4-9-6(8)5(2)7-3;2*1-7-5-6-3-2-4-8-6;1-3-4-5-6-2;1-3-4-5-2;;;;;;;/h11,14H,2-10H2,1H3;8,11H,6H2,1-5H3;3-6,9,11H,1-2H3,(H,12,13);2-6,10H,7H2,1H3;2-6,10H,7-8H2,1H3;3-4,10H,5H2,1-2H3;2-4,6,9H,5,7H2,1H3;9H,2-8H2,1H3;2-8H2,1H3;2-6H,7H2,1H3;2-4,9H,5H2,1H3;6,8H,4-5H2,1-3H3;2-5H,6H2,1H3;5,7H,4H2,1-3H3;2*6-7H,2-5H2,1H3;6H,3-5H2,1-2H3;1,5H,4H2,2H3;7*1H4/t;;9-;;;;;;;;;6-;;;2*6-;;;;;;;;;/m..0........0..10........./s1
InChIKeyVOFUSVJEQOVNKE-JVVPOIBOSA-N
XLogP20.69
TPSA475.60 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds48
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002687.79
LogP ≤ 520.69
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(3S)-3-(methylamino)butan-2-one;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine
CID 157527848
(1R,2S)-2-amino-1-[4-[6-[(dimethylamino)methyl]-3-pyridinyl]phenyl]-3-fluoropropan-1-ol;tert-butyl (4S,5R)-5-[4-[6-[(dimethylamino)methyl]-3-pyridinyl]phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-[6-(dimethylcarbamoyl)-3-pyridinyl]phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;(4S,5S)-1,1-dichloro-5-[4-[6-[(dimethylamino)methyl]-3-pyridinyl]phenyl]-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid
CID 160994587
4-chloro-1-pyridin-2-ylbutan-1-one;2-chloro-4-(2-pyridin-2-yloxolan-2-yl)pyridine;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-(2-pyridin-2-yloxolan-2-yl)pyridin-2-one;methyl 4-[[2-oxo-4-(2-pyridin-2-yloxolan-2-yl)-1-pyridinyl]methyl]benzoate;methyl pyridine-2-carboxylate;3-(pyridine-2-carbonyl)oxolan-2-one;4-(2-pyridin-2-yloxolan-2-yl)-1H-pyridin-2-one
CID 161022407

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine (CID 161353542) is tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine is C.C.C.C.C.C.C.C#CCNC.CCCCNC.CCC[C@H](NC)C(=O)OC.CCOC(=O)C(C)NC.CNC(CC(C)=O)C(=O)OC(C)(C)C.CNC1CCCCN(CC(=O)N2CCCC2)C1=O.CNCC(=O)c1ccccc1.CNCCN1CCCCC1.CNCCc1ccccc1.CNCCc1ccccn1.CNC[C@@H]1CCCO1.CNC[C@H]1CCCO1.CNCc1cc(C)nc(Cl)c1.CNCc1ccnc(Cl)c1.CN[C@H](C(=O)O)c1ccc(C)cc1.COCCN1CCCCC1.COCc1ccccc1.COCc1ccccn1.
What is the InChIKey of tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is VOFUSVJEQOVNKE-JVVPOIBOSA-N. The full InChI is InChI=1S/C13H23N3O2.C10H19NO3.C10H13NO2.C9H11NO.C9H13N.C8H11ClN2.C8H12N2.C8H18N2.C8H17NO.C8H10O.C7H9ClN2.C7H15NO2.C7H9NO.C6H13NO2.2C6H13NO.C5H13N.C4H7N.7CH4/c1-14-11-6-2-3-9-16(13(11)18)10-12(17)15-7-4-5-8-15;1-7(12)6-8(11-5)9(13)14-10(2,3)4;1-7-3-5-8(6-4-7)9(11-2)10(12)13;1-10-7-9(11)8-5-3-2-4-6-8;1-10-8-7-9-5-3-2-4-6-9;1-6-3-7(5-10-2)4-8(9)11-6;1-9-7-5-8-4-2-3-6-10-8;1-9-5-8-10-6-3-2-4-7-10;1-10-8-7-9-5-3-2-4-6-9;1-9-7-8-5-3-2-4-6-8;1-9-5-6-2-3-10-7(8)4-6;1-4-5-6(8-2)7(9)10-3;1-9-6-7-4-2-3-5-8-7;1-4-9-6(8)5(2)7-3;2*1-7-5-6-3-2-4-8-6;1-3-4-5-6-2;1-3-4-5-2;;;;;;;/h11,14H,2-10H2,1H3;8,11H,6H2,1-5H3;3-6,9,11H,1-2H3,(H,12,13);2-6,10H,7H2,1H3;2-6,10H,7-8H2,1H3;3-4,10H,5H2,1-2H3;2-4,6,9H,5,7H2,1H3;9H,2-8H2,1H3;2-8H2,1H3;2-6H,7H2,1H3;2-4,9H,5H2,1H3;6,8H,4-5H2,1-3H3;2-5H,6H2,1H3;5,7H,4H2,1-3H3;2*6-7H,2-5H2,1H3;6H,3-5H2,1-2H3;1,5H,4H2,2H3;7*1H4/t;;9-;;;;;;;;;6-;;;2*6-;;;;;;;;;/m..0........0..10........./s1.
What are the key properties of tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine?
tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 2687.79 g/mol, XLogP of 20.69, 48 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylamino)-4-oxopentanoate;1-(2-chloro-6-methyl-4-pyridinyl)-N-methylmethanamine;1-(2-chloro-4-pyridinyl)-N-methylmethanamine;ethyl 2-(methylamino)propanoate;methane;1-(2-methoxyethyl)piperidine;methoxymethylbenzene;2-(methoxymethyl)pyridine;(2S)-2-(methylamino)-2-(4-methylphenyl)acetic acid;3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;2-(methylamino)-1-phenylethanone;N-methylbutan-1-amine;methyl (2S)-2-(methylamino)pentanoate;N-methyl-1-[(2R)-oxolan-2-yl]methanamine;N-methyl-1-[(2S)-oxolan-2-yl]methanamine;N-methyl-2-phenylethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methylprop-2-yn-1-amine;N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 161353542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).