N'-(8-aminooctyl)octane-1,8-diamine

C16H37N3 — CID 10199351

IUPACN'-(8-aminooctyl)octane-1,8-diamine
SMILESNCCCCCCCCNCCCCCCCCN
InChIInChI=1S/C16H37N3/c17-13-9-5-1-3-7-11-15-19-16-12-8-4-2-6-10-14-18/h19H,1-18H2
InChIKeyZWZITQBHEXYRNP-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.17
Rot. Bonds16

About N'-(8-aminooctyl)octane-1,8-diamine

N'-(8-aminooctyl)octane-1,8-diamine (PubChem CID 10199351) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is N'-(8-aminooctyl)octane-1,8-diamine.

Molecular Properties

Compound NameN'-(8-aminooctyl)octane-1,8-diamine
PubChem CID10199351
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC NameN'-(8-aminooctyl)octane-1,8-diamine
SMILESNCCCCCCCCNCCCCCCCCN
InChIInChI=1S/C16H37N3/c17-13-9-5-1-3-7-11-15-19-16-12-8-4-2-6-10-14-18/h19H,1-18H2
InChIKeyZWZITQBHEXYRNP-UHFFFAOYSA-N
XLogP3.17
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(8-aminooctyl)octane-1,8-diamine 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'-(8-aminooctyl)octane-1,8-diamine?
The IUPAC name of N'-(8-aminooctyl)octane-1,8-diamine (CID 10199351) is N'-(8-aminooctyl)octane-1,8-diamine.
What is the SMILES notation for N'-(8-aminooctyl)octane-1,8-diamine?
The canonical SMILES for N'-(8-aminooctyl)octane-1,8-diamine is NCCCCCCCCNCCCCCCCCN.
What is the InChIKey of N'-(8-aminooctyl)octane-1,8-diamine?
The InChIKey is ZWZITQBHEXYRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c17-13-9-5-1-3-7-11-15-19-16-12-8-4-2-6-10-14-18/h19H,1-18H2.
What are the key properties of N'-(8-aminooctyl)octane-1,8-diamine?
N'-(8-aminooctyl)octane-1,8-diamine has a molecular weight of 271.49 g/mol, XLogP of 3.17, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(8-aminooctyl)octane-1,8-diamine is sourced from PubChem (CID 10199351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).