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

C17H33ClN2O — CID 119746848

IUPAC3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCN(CC1CCCCC1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/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;1H
InChIKeyNRBXPRUZRGOEQO-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.74
Rot. Bonds5

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

3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119746848) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119746848
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCN(CC1CCCCC1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/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;1H
InChIKeyNRBXPRUZRGOEQO-UHFFFAOYSA-N
XLogP3.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
CID 119746849
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-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
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-(cyclohexylmethyl)-N-propylpropanamide
CID 119302227
3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119682416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride (CID 119746848) is 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride is CCCN(CC1CCCCC1)C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is NRBXPRUZRGOEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/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;1H.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.74, 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;hydrochloride is sourced from PubChem (CID 119746848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).