1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide

C16H30N2O — CID 103809043

IUPAC1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCCC2CCCC2)C1
InChIInChI=1S/C16H30N2O/c1-13-6-4-10-16(17,12-13)15(19)18-11-5-9-14-7-2-3-8-14/h13-14H,2-12,17H2,1H3,(H,18,19)
InChIKeyGFSSIAFIJPEYQZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.98
Rot. Bonds5

About 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 103809043) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
PubChem CID103809043
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCCC2CCCC2)C1
InChIInChI=1S/C16H30N2O/c1-13-6-4-10-16(17,12-13)15(19)18-11-5-9-14-7-2-3-8-14/h13-14H,2-12,17H2,1H3,(H,18,19)
InChIKeyGFSSIAFIJPEYQZ-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
CID 64550257
1-amino-N-(4-cyclopentylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119790854
1-amino-3-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 64552753
1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 115739676
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide (CID 103809043) is 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCCCC2CCCC2)C1.
What is the InChIKey of 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is GFSSIAFIJPEYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-6-4-10-16(17,12-13)15(19)18-11-5-9-14-7-2-3-8-14/h13-14H,2-12,17H2,1H3,(H,18,19).
What are the key properties of 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 103809043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).