2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide

C17H26N2O — CID 81360383

IUPAC2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc([C@@H](C)NC(=O)C2CCCCC2CN)c1
InChIInChI=1S/C17H26N2O/c1-12-6-5-8-14(10-12)13(2)19-17(20)16-9-4-3-7-15(16)11-18/h5-6,8,10,13,15-16H,3-4,7,9,11,18H2,1-2H3,(H,19,20)/t13-,15?,16?/m1/s1
InChIKeyTVDGPPJZTGKJEO-IUDNXUCKSA-N
MW274.41 g/mol
LogP2.94
Rot. Bonds4

About 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide

2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 81360383) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID81360383
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc([C@@H](C)NC(=O)C2CCCCC2CN)c1
InChIInChI=1S/C17H26N2O/c1-12-6-5-8-14(10-12)13(2)19-17(20)16-9-4-3-7-15(16)11-18/h5-6,8,10,13,15-16H,3-4,7,9,11,18H2,1-2H3,(H,19,20)/t13-,15?,16?/m1/s1
InChIKeyTVDGPPJZTGKJEO-IUDNXUCKSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81360813
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404734
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81361448
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81360733
2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81384002
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cycloheptane-1-carboxamide
CID 81366921
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide (CID 81360383) is 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide is Cc1cccc([C@@H](C)NC(=O)C2CCCCC2CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is TVDGPPJZTGKJEO-IUDNXUCKSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-6-5-8-14(10-12)13(2)19-17(20)16-9-4-3-7-15(16)11-18/h5-6,8,10,13,15-16H,3-4,7,9,11,18H2,1-2H3,(H,19,20)/t13-,15?,16?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81360383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).