(E)-3-N-ethylhex-2-ene-3,4-diamine

C8H18N2 — CID 118928811

IUPAC(E)-3-N-ethylhex-2-ene-3,4-diamine
SMILESC/C=C(/NCC)C(N)CC
InChIInChI=1S/C8H18N2/c1-4-7(9)8(5-2)10-6-3/h5,7,10H,4,6,9H2,1-3H3/b8-5+
InChIKeyYXOWGQCWNLRYPY-VMPITWQZSA-N
MW142.25 g/mol
LogP1.24
Rot. Bonds4

About (E)-3-N-ethylhex-2-ene-3,4-diamine

(E)-3-N-ethylhex-2-ene-3,4-diamine (PubChem CID 118928811) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (E)-3-N-ethylhex-2-ene-3,4-diamine.

Molecular Properties

Compound Name(E)-3-N-ethylhex-2-ene-3,4-diamine
PubChem CID118928811
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(E)-3-N-ethylhex-2-ene-3,4-diamine
SMILESC/C=C(/NCC)C(N)CC
InChIInChI=1S/C8H18N2/c1-4-7(9)8(5-2)10-6-3/h5,7,10H,4,6,9H2,1-3H3/b8-5+
InChIKeyYXOWGQCWNLRYPY-VMPITWQZSA-N
XLogP1.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-3-N-ethylhex-2-ene-3,4-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)-3-N-ethylhex-2-ene-3,4-diamine?
The IUPAC name of (E)-3-N-ethylhex-2-ene-3,4-diamine (CID 118928811) is (E)-3-N-ethylhex-2-ene-3,4-diamine.
What is the SMILES notation for (E)-3-N-ethylhex-2-ene-3,4-diamine?
The canonical SMILES for (E)-3-N-ethylhex-2-ene-3,4-diamine is C/C=C(/NCC)C(N)CC.
What is the InChIKey of (E)-3-N-ethylhex-2-ene-3,4-diamine?
The InChIKey is YXOWGQCWNLRYPY-VMPITWQZSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-7(9)8(5-2)10-6-3/h5,7,10H,4,6,9H2,1-3H3/b8-5+.
What are the key properties of (E)-3-N-ethylhex-2-ene-3,4-diamine?
(E)-3-N-ethylhex-2-ene-3,4-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-ethylhex-2-ene-3,4-diamine is sourced from PubChem (CID 118928811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).