4-amino-N,N-dipentylcyclohexane-1-carboxamide

C17H34N2O — CID 60947028

IUPAC4-amino-N,N-dipentylcyclohexane-1-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C1CCC(N)CC1
InChIInChI=1S/C17H34N2O/c1-3-5-7-13-19(14-8-6-4-2)17(20)15-9-11-16(18)12-10-15/h15-16H,3-14,18H2,1-2H3
InChIKeyZCPGWYKLIZUGNK-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.71
Rot. Bonds9

About 4-amino-N,N-dipentylcyclohexane-1-carboxamide

4-amino-N,N-dipentylcyclohexane-1-carboxamide (PubChem CID 60947028) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-amino-N,N-dipentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-dipentylcyclohexane-1-carboxamide
PubChem CID60947028
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-amino-N,N-dipentylcyclohexane-1-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C1CCC(N)CC1
InChIInChI=1S/C17H34N2O/c1-3-5-7-13-19(14-8-6-4-2)17(20)15-9-11-16(18)12-10-15/h15-16H,3-14,18H2,1-2H3
InChIKeyZCPGWYKLIZUGNK-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dihexylpiperidine-4-carboxamide
CID 60947458
4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82960257
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
N-(2-aminoethyl)-N-butylcyclooctanecarboxamide
CID 65020868
N,N-dipentylpyrrolidine-3-carboxamide
CID 63005585
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009798
N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
CID 63391533
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831
3-amino-N-butyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 55117107
N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
CID 61349316

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dipentylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N,N-dipentylcyclohexane-1-carboxamide (CID 60947028) is 4-amino-N,N-dipentylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N,N-dipentylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N,N-dipentylcyclohexane-1-carboxamide is CCCCCN(CCCCC)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N,N-dipentylcyclohexane-1-carboxamide?
The InChIKey is ZCPGWYKLIZUGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-5-7-13-19(14-8-6-4-2)17(20)15-9-11-16(18)12-10-15/h15-16H,3-14,18H2,1-2H3.
What are the key properties of 4-amino-N,N-dipentylcyclohexane-1-carboxamide?
4-amino-N,N-dipentylcyclohexane-1-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dipentylcyclohexane-1-carboxamide is sourced from PubChem (CID 60947028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).