4-iminohexane-1,2,6-triamine

C6H16N4 — CID 57062309

IUPAC4-iminohexane-1,2,6-triamine
SMILES[H]/N=C(\CCN)CC(N)CN
InChIInChI=1S/C6H16N4/c7-2-1-5(9)3-6(10)4-8/h6,9H,1-4,7-8,10H2/b9-5+
InChIKeyPHZKSYMASNGXLM-WEVVVXLNSA-N
MW144.22 g/mol
LogP-0.97
Rot. Bonds5

About 4-iminohexane-1,2,6-triamine

4-iminohexane-1,2,6-triamine (PubChem CID 57062309) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-iminohexane-1,2,6-triamine.

Molecular Properties

Compound Name4-iminohexane-1,2,6-triamine
PubChem CID57062309
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name4-iminohexane-1,2,6-triamine
SMILES[H]/N=C(\CCN)CC(N)CN
InChIInChI=1S/C6H16N4/c7-2-1-5(9)3-6(10)4-8/h6,9H,1-4,7-8,10H2/b9-5+
InChIKeyPHZKSYMASNGXLM-WEVVVXLNSA-N
XLogP-0.97
TPSA101.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-iminohexane-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

Related Compounds

2-Iminocyclohexan-1-amine
CID 23599757
3-Iminocyclohexan-1-amine
CID 54522062
(2S)-2,6-diaminohexanimidamide
CID 123419427
6-Iminoheptan-1-amine
CID 54250278
4-Iminocyclohexan-1-amine
CID 57170566
5-Iminoheptan-2-amine
CID 57258507
(1R)-2-iminocyclohexan-1-amine
CID 58595899
2-Iminoheptan-4-amine
CID 87507987
2,3-Diiminocyclohexan-1-amine
CID 88990706
3,4-Diiminohexane-2,5-diamine
CID 91176744
3,4,5-Triiminocyclopentane-1,2-diamine
CID 91207664
2,4-Diiminocyclohexan-1-amine
CID 91437739

Frequently Asked Questions

What is the IUPAC name of 4-iminohexane-1,2,6-triamine?
The IUPAC name of 4-iminohexane-1,2,6-triamine (CID 57062309) is 4-iminohexane-1,2,6-triamine.
What is the SMILES notation for 4-iminohexane-1,2,6-triamine?
The canonical SMILES for 4-iminohexane-1,2,6-triamine is [H]/N=C(\CCN)CC(N)CN.
What is the InChIKey of 4-iminohexane-1,2,6-triamine?
The InChIKey is PHZKSYMASNGXLM-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H16N4/c7-2-1-5(9)3-6(10)4-8/h6,9H,1-4,7-8,10H2/b9-5+.
What are the key properties of 4-iminohexane-1,2,6-triamine?
4-iminohexane-1,2,6-triamine has a molecular weight of 144.22 g/mol, XLogP of -0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminohexane-1,2,6-triamine is sourced from PubChem (CID 57062309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).