2-ethylbutane-1,2,4-triamine

C6H17N3 — CID 88635089

IUPAC2-ethylbutane-1,2,4-triamine
SMILESCCC(N)(CN)CCN
InChIInChI=1S/C6H17N3/c1-2-6(9,5-8)3-4-7/h2-5,7-9H2,1H3
InChIKeyKUUNPDPCOPRFDX-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.60
Rot. Bonds4

About 2-ethylbutane-1,2,4-triamine

2-ethylbutane-1,2,4-triamine (PubChem CID 88635089) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-ethylbutane-1,2,4-triamine.

Molecular Properties

Compound Name2-ethylbutane-1,2,4-triamine
PubChem CID88635089
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name2-ethylbutane-1,2,4-triamine
SMILESCCC(N)(CN)CCN
InChIInChI=1S/C6H17N3/c1-2-6(9,5-8)3-4-7/h2-5,7-9H2,1H3
InChIKeyKUUNPDPCOPRFDX-UHFFFAOYSA-N
XLogP-0.60
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 2-ethylbutane-1,2,4-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 2-ethylbutane-1,2,4-triamine?
The IUPAC name of 2-ethylbutane-1,2,4-triamine (CID 88635089) is 2-ethylbutane-1,2,4-triamine.
What is the SMILES notation for 2-ethylbutane-1,2,4-triamine?
The canonical SMILES for 2-ethylbutane-1,2,4-triamine is CCC(N)(CN)CCN.
What is the InChIKey of 2-ethylbutane-1,2,4-triamine?
The InChIKey is KUUNPDPCOPRFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-2-6(9,5-8)3-4-7/h2-5,7-9H2,1H3.
What are the key properties of 2-ethylbutane-1,2,4-triamine?
2-ethylbutane-1,2,4-triamine has a molecular weight of 131.22 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutane-1,2,4-triamine is sourced from PubChem (CID 88635089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).