3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide

C17H32N2O — CID 119746849

IUPAC3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CC1CCCCC1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-2-11-19(13-14-7-4-3-5-8-14)17(20)15-9-6-10-16(18)12-15/h14-16H,2-13,18H2,1H3
InChIKeyFQJQSSQOEQIKAA-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.32
Rot. Bonds5

About 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide

3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide (PubChem CID 119746849) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
PubChem CID119746849
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CC1CCCCC1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-2-11-19(13-14-7-4-3-5-8-14)17(20)15-9-6-10-16(18)12-15/h14-16H,2-13,18H2,1H3
InChIKeyFQJQSSQOEQIKAA-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119746848
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
CID 62776151
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide
CID 79702518
N-(cyclohexylmethyl)-N-propylpiperidine-3-carboxamide
CID 119302238
3-amino-N-cyclohexyl-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119674160
3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82959930
3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
3-amino-N-(cyclohexylmethyl)-N-propylpropanamide
CID 119302227
(2S,4S)-N-(cyclopropylmethyl)-2-methyl-N-propylpiperidine-4-carboxamide
CID 120616807

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide (CID 119746849) is 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide is CCCN(CC1CCCCC1)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide?
The InChIKey is FQJQSSQOEQIKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-11-19(13-14-7-4-3-5-8-14)17(20)15-9-6-10-16(18)12-15/h14-16H,2-13,18H2,1H3.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide?
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 119746849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).