1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide

C18H28N2O — CID 115442483

IUPAC1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C18H28N2O/c1-13-8-10-18(12-19,11-9-13)17(21)20-15(3)16-7-5-4-6-14(16)2/h4-7,13,15H,8-12,19H2,1-3H3,(H,20,21)/t13?,15-,18?/m0/s1
InChIKeyNEDFUAWAPBNNDU-DBQDNQAGSA-N
MW288.44 g/mol
LogP3.33
Rot. Bonds4

About 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 115442483) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID115442483
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C18H28N2O/c1-13-8-10-18(12-19,11-9-13)17(21)20-15(3)16-7-5-4-6-14(16)2/h4-7,13,15H,8-12,19H2,1-3H3,(H,20,21)/t13?,15-,18?/m0/s1
InChIKeyNEDFUAWAPBNNDU-DBQDNQAGSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115441667
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115442476
1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115453236
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 80502059
1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 115442035
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
4-(aminomethyl)-N-[1-(2-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918974
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459
4-(aminomethyl)-N-[1-(2,4-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 115439158

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide (CID 115442483) is 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide is Cc1ccccc1[C@H](C)NC(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is NEDFUAWAPBNNDU-DBQDNQAGSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-8-10-18(12-19,11-9-13)17(21)20-15(3)16-7-5-4-6-14(16)2/h4-7,13,15H,8-12,19H2,1-3H3,(H,20,21)/t13?,15-,18?/m0/s1.
What are the key properties of 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115442483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).