1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide

C18H28N2O — CID 115441440

IUPAC1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)15-5-4-6-16(11-15)20-17(21)18(12-19)9-7-14(3)8-10-18/h4-6,11,13-14H,7-10,12,19H2,1-3H3,(H,20,21)
InChIKeyRALGSRKLYPWHEL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.90
Rot. Bonds4

About 1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 115441440) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
PubChem CID115441440
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)15-5-4-6-16(11-15)20-17(21)18(12-19)9-7-14(3)8-10-18/h4-6,11,13-14H,7-10,12,19H2,1-3H3,(H,20,21)
InChIKeyRALGSRKLYPWHEL-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441349
1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115442476
1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide
CID 113310541
1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
CID 115441564
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115442356
1-(aminomethyl)-N-(4-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441362
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448197
1-(aminomethyl)-N-(3-fluoro-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441999
1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 81486575
1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 113310422

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide (CID 115441440) is 1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)Nc2cccc(C(C)C)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is RALGSRKLYPWHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)15-5-4-6-16(11-15)20-17(21)18(12-19)9-7-14(3)8-10-18/h4-6,11,13-14H,7-10,12,19H2,1-3H3,(H,20,21).
What are the key properties of 1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.90, 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-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115441440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).