4-(aminomethyl)-1-pentylcyclohexan-1-amine

C12H26N2 — CID 69228724

IUPAC4-(aminomethyl)-1-pentylcyclohexan-1-amine
SMILESCCCCCC1(N)CCC(CN)CC1
InChIInChI=1S/C12H26N2/c1-2-3-4-7-12(14)8-5-11(10-13)6-9-12/h11H,2-10,13-14H2,1H3
InChIKeyAQKWXZKXTNWMBX-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.41
Rot. Bonds5

About 4-(aminomethyl)-1-pentylcyclohexan-1-amine

4-(aminomethyl)-1-pentylcyclohexan-1-amine (PubChem CID 69228724) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(aminomethyl)-1-pentylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-pentylcyclohexan-1-amine
PubChem CID69228724
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-(aminomethyl)-1-pentylcyclohexan-1-amine
SMILESCCCCCC1(N)CCC(CN)CC1
InChIInChI=1S/C12H26N2/c1-2-3-4-7-12(14)8-5-11(10-13)6-9-12/h11H,2-10,13-14H2,1H3
InChIKeyAQKWXZKXTNWMBX-UHFFFAOYSA-N
XLogP2.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-1-pentylcyclohexan-1-amine 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 4-(aminomethyl)-1-pentylcyclohexan-1-amine?
The IUPAC name of 4-(aminomethyl)-1-pentylcyclohexan-1-amine (CID 69228724) is 4-(aminomethyl)-1-pentylcyclohexan-1-amine.
What is the SMILES notation for 4-(aminomethyl)-1-pentylcyclohexan-1-amine?
The canonical SMILES for 4-(aminomethyl)-1-pentylcyclohexan-1-amine is CCCCCC1(N)CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-1-pentylcyclohexan-1-amine?
The InChIKey is AQKWXZKXTNWMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-2-3-4-7-12(14)8-5-11(10-13)6-9-12/h11H,2-10,13-14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-pentylcyclohexan-1-amine?
4-(aminomethyl)-1-pentylcyclohexan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-pentylcyclohexan-1-amine is sourced from PubChem (CID 69228724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).