N-pentylcyclohexanamine

C11H23N — CID 13112618

IUPACN-pentylcyclohexanamine
SMILESCCCCCNC1CCCCC1
InChIInChI=1S/C11H23N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h11-12H,2-10H2,1H3
InChIKeyGDWCYEJRZHRZFP-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.10
Rot. Bonds5

About N-pentylcyclohexanamine

N-pentylcyclohexanamine (PubChem CID 13112618) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-pentylcyclohexanamine.

Molecular Properties

Compound NameN-pentylcyclohexanamine
PubChem CID13112618
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-pentylcyclohexanamine
SMILESCCCCCNC1CCCCC1
InChIInChI=1S/C11H23N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h11-12H,2-10H2,1H3
InChIKeyGDWCYEJRZHRZFP-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-pentylcyclohexanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentylcyclohexanamine?
The IUPAC name of N-pentylcyclohexanamine (CID 13112618) is N-pentylcyclohexanamine.
What is the SMILES notation for N-pentylcyclohexanamine?
The canonical SMILES for N-pentylcyclohexanamine is CCCCCNC1CCCCC1.
What is the InChIKey of N-pentylcyclohexanamine?
The InChIKey is GDWCYEJRZHRZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h11-12H,2-10H2,1H3.
What are the key properties of N-pentylcyclohexanamine?
N-pentylcyclohexanamine has a molecular weight of 169.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylcyclohexanamine is sourced from PubChem (CID 13112618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).