hexane-1,2,6-triamine

C6H17N3 — CID 14741028

IUPAChexane-1,2,6-triamine
SMILESNCCCCC(N)CN
InChIInChI=1S/C6H17N3/c7-4-2-1-3-6(9)5-8/h6H,1-5,7-9H2
InChIKeyRPDQDBRTJIPWMJ-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.60
Rot. Bonds5

About hexane-1,2,6-triamine

hexane-1,2,6-triamine (PubChem CID 14741028) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is hexane-1,2,6-triamine.

Molecular Properties

Compound Namehexane-1,2,6-triamine
PubChem CID14741028
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Namehexane-1,2,6-triamine
SMILESNCCCCC(N)CN
InChIInChI=1S/C6H17N3/c7-4-2-1-3-6(9)5-8/h6H,1-5,7-9H2
InChIKeyRPDQDBRTJIPWMJ-UHFFFAOYSA-N
XLogP-0.60
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hexane-1,2,6-triamine 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 hexane-1,2,6-triamine?
The IUPAC name of hexane-1,2,6-triamine (CID 14741028) is hexane-1,2,6-triamine.
What is the SMILES notation for hexane-1,2,6-triamine?
The canonical SMILES for hexane-1,2,6-triamine is NCCCCC(N)CN.
What is the InChIKey of hexane-1,2,6-triamine?
The InChIKey is RPDQDBRTJIPWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c7-4-2-1-3-6(9)5-8/h6H,1-5,7-9H2.
What are the key properties of hexane-1,2,6-triamine?
hexane-1,2,6-triamine has a molecular weight of 131.22 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,2,6-triamine is sourced from PubChem (CID 14741028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).