4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide

C18H28N2O — CID 79512212

IUPAC4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCC(CN)CC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13-4-7-17(14(2)10-13)12-20(3)18(21)16-8-5-15(11-19)6-9-16/h4,7,10,15-16H,5-6,8-9,11-12,19H2,1-3H3
InChIKeyRYBDOXQJHQSDPO-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.03
Rot. Bonds4

About 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide

4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 79512212) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID79512212
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCC(CN)CC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13-4-7-17(14(2)10-13)12-20(3)18(21)16-8-5-15(11-19)6-9-16/h4,7,10,15-16H,5-6,8-9,11-12,19H2,1-3H3
InChIKeyRYBDOXQJHQSDPO-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79510878
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511106
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 47021840
cis-(1S,2R)-2-[(2,4-dimethylphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091785
4-(aminomethyl)-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511292
4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512301
3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161721
N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778607
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
CID 136536254
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185700

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 79512212) is 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide is Cc1ccc(CN(C)C(=O)C2CCC(CN)CC2)c(C)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is RYBDOXQJHQSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-4-7-17(14(2)10-13)12-20(3)18(21)16-8-5-15(11-19)6-9-16/h4,7,10,15-16H,5-6,8-9,11-12,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79512212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).