octadecan-1-amine

C18H39N — CID 15793

IUPACoctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
InChIKeyREYJJPSVUYRZGE-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.21
Rot. Bonds16

About octadecan-1-amine

octadecan-1-amine (PubChem CID 15793) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is octadecan-1-amine.

Molecular Properties

Compound Nameoctadecan-1-amine
PubChem CID15793
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Nameoctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
InChIKeyREYJJPSVUYRZGE-UHFFFAOYSA-N
XLogP6.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze octadecan-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 octadecan-1-amine?
The IUPAC name of octadecan-1-amine (CID 15793) is octadecan-1-amine.
What is the SMILES notation for octadecan-1-amine?
The canonical SMILES for octadecan-1-amine is CCCCCCCCCCCCCCCCCCN.
What is the InChIKey of octadecan-1-amine?
The InChIKey is REYJJPSVUYRZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3.
What are the key properties of octadecan-1-amine?
octadecan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 6.21, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-amine is sourced from PubChem (CID 15793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).