2-(2-aminohexyl)nonanoic acid

C15H31NO2 — CID 89318404

IUPAC2-(2-aminohexyl)nonanoic acid
SMILESCCCCCCCC(CC(N)CCCC)C(=O)O
InChIInChI=1S/C15H31NO2/c1-3-5-7-8-9-10-13(15(17)18)12-14(16)11-6-4-2/h13-14H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyWPNSTPCGLKHCEG-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.96
Rot. Bonds12

About 2-(2-aminohexyl)nonanoic acid

2-(2-aminohexyl)nonanoic acid (PubChem CID 89318404) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(2-aminohexyl)nonanoic acid.

Molecular Properties

Compound Name2-(2-aminohexyl)nonanoic acid
PubChem CID89318404
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-(2-aminohexyl)nonanoic acid
SMILESCCCCCCCC(CC(N)CCCC)C(=O)O
InChIInChI=1S/C15H31NO2/c1-3-5-7-8-9-10-13(15(17)18)12-14(16)11-6-4-2/h13-14H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyWPNSTPCGLKHCEG-UHFFFAOYSA-N
XLogP3.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-aminohexyl)nonanoic acid 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 2-(2-aminohexyl)nonanoic acid?
The IUPAC name of 2-(2-aminohexyl)nonanoic acid (CID 89318404) is 2-(2-aminohexyl)nonanoic acid.
What is the SMILES notation for 2-(2-aminohexyl)nonanoic acid?
The canonical SMILES for 2-(2-aminohexyl)nonanoic acid is CCCCCCCC(CC(N)CCCC)C(=O)O.
What is the InChIKey of 2-(2-aminohexyl)nonanoic acid?
The InChIKey is WPNSTPCGLKHCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-7-8-9-10-13(15(17)18)12-14(16)11-6-4-2/h13-14H,3-12,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-aminohexyl)nonanoic acid?
2-(2-aminohexyl)nonanoic acid has a molecular weight of 257.42 g/mol, XLogP of 3.96, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminohexyl)nonanoic acid is sourced from PubChem (CID 89318404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).