(E)-hex-3-ene-2,5-diamine

C6H14N2 — CID 19049644

IUPAC(E)-hex-3-ene-2,5-diamine
SMILESCC(N)/C=C/C(C)N
InChIInChI=1S/C6H14N2/c1-5(7)3-4-6(2)8/h3-6H,7-8H2,1-2H3/b4-3+
InChIKeyYNAIBRGIACBBCY-ONEGZZNKSA-N
MW114.19 g/mol
LogP0.24
Rot. Bonds2

About (E)-hex-3-ene-2,5-diamine

(E)-hex-3-ene-2,5-diamine (PubChem CID 19049644) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-hex-3-ene-2,5-diamine.

Molecular Properties

Compound Name(E)-hex-3-ene-2,5-diamine
PubChem CID19049644
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-hex-3-ene-2,5-diamine
SMILESCC(N)/C=C/C(C)N
InChIInChI=1S/C6H14N2/c1-5(7)3-4-6(2)8/h3-6H,7-8H2,1-2H3/b4-3+
InChIKeyYNAIBRGIACBBCY-ONEGZZNKSA-N
XLogP0.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-hex-3-ene-2,5-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 (E)-hex-3-ene-2,5-diamine?
The IUPAC name of (E)-hex-3-ene-2,5-diamine (CID 19049644) is (E)-hex-3-ene-2,5-diamine.
What is the SMILES notation for (E)-hex-3-ene-2,5-diamine?
The canonical SMILES for (E)-hex-3-ene-2,5-diamine is CC(N)/C=C/C(C)N.
What is the InChIKey of (E)-hex-3-ene-2,5-diamine?
The InChIKey is YNAIBRGIACBBCY-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(7)3-4-6(2)8/h3-6H,7-8H2,1-2H3/b4-3+.
What are the key properties of (E)-hex-3-ene-2,5-diamine?
(E)-hex-3-ene-2,5-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-3-ene-2,5-diamine is sourced from PubChem (CID 19049644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).