3-amino-N-pentylcyclohexane-1-carboxamide

C12H24N2O — CID 62775416

IUPAC3-amino-N-pentylcyclohexane-1-carboxamide
SMILESCCCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C12H24N2O/c1-2-3-4-8-14-12(15)10-6-5-7-11(13)9-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyPPAOBUWIKTYFFZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds5

About 3-amino-N-pentylcyclohexane-1-carboxamide

3-amino-N-pentylcyclohexane-1-carboxamide (PubChem CID 62775416) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-N-pentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-pentylcyclohexane-1-carboxamide
PubChem CID62775416
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-amino-N-pentylcyclohexane-1-carboxamide
SMILESCCCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C12H24N2O/c1-2-3-4-8-14-12(15)10-6-5-7-11(13)9-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyPPAOBUWIKTYFFZ-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-pentylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861213
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pentylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-pentylcyclohexane-1-carboxamide (CID 62775416) is 3-amino-N-pentylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-pentylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-pentylcyclohexane-1-carboxamide is CCCCCNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-pentylcyclohexane-1-carboxamide?
The InChIKey is PPAOBUWIKTYFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-4-8-14-12(15)10-6-5-7-11(13)9-10/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-pentylcyclohexane-1-carboxamide?
3-amino-N-pentylcyclohexane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pentylcyclohexane-1-carboxamide is sourced from PubChem (CID 62775416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).