3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide

C17H32N2O — CID 62781125

IUPAC3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCCC1CCC(NC(=O)C2CCC(C)C(N)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-4-13-6-9-15(10-7-13)19-17(20)14-8-5-12(2)16(18)11-14/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyQNXCIGPHPZIDJY-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.22
Rot. Bonds4

About 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide

3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 62781125) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID62781125
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCCC1CCC(NC(=O)C2CCC(C)C(N)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-4-13-6-9-15(10-7-13)19-17(20)14-8-5-12(2)16(18)11-14/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyQNXCIGPHPZIDJY-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
CID 63714005
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
3-amino-N,N-diethyl-4-methylcyclohexane-1-carboxamide
CID 62777554
(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide
CID 134513239
3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide
CID 106028328
4-amino-N-(3,5-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64733535
3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
CID 62782994
4-amino-3-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 62783524
3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide
CID 113489159

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide (CID 62781125) is 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide is CCCC1CCC(NC(=O)C2CCC(C)C(N)C2)CC1.
What is the InChIKey of 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is QNXCIGPHPZIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-4-13-6-9-15(10-7-13)19-17(20)14-8-5-12(2)16(18)11-14/h12-16H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide?
3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62781125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).