3-amino-N-methyl-N-propylcyclohexane-1-carboxamide

C11H22N2O — CID 62778074

IUPAC3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C11H22N2O/c1-3-7-13(2)11(14)9-5-4-6-10(12)8-9/h9-10H,3-8,12H2,1-2H3
InChIKeyVMVCLRKDPXJTBM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds3

About 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide

3-amino-N-methyl-N-propylcyclohexane-1-carboxamide (PubChem CID 62778074) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
PubChem CID62778074
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C11H22N2O/c1-3-7-13(2)11(14)9-5-4-6-10(12)8-9/h9-10H,3-8,12H2,1-2H3
InChIKeyVMVCLRKDPXJTBM-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
CID 63041805
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
CID 62776151
cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
CID 129348776
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798090
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
CID 119746849
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62775426
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119746848
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 62777041

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide (CID 62778074) is 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide is CCCN(C)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is VMVCLRKDPXJTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-7-13(2)11(14)9-5-4-6-10(12)8-9/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide?
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 62778074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).