(2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine

C8H16N2 — CID 122468761

IUPAC(2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine
SMILESC/C=C\C(N)=C(/CC)CN
InChIInChI=1S/C8H16N2/c1-3-5-8(10)7(4-2)6-9/h3,5H,4,6,9-10H2,1-2H3/b5-3-,8-7-
InChIKeyRHCHOAVIEMICGZ-OVRZELKPSA-N
MW140.23 g/mol
LogP1.14
Rot. Bonds3

About (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine

(2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine (PubChem CID 122468761) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine.

Molecular Properties

Compound Name(2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine
PubChem CID122468761
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine
SMILESC/C=C\C(N)=C(/CC)CN
InChIInChI=1S/C8H16N2/c1-3-5-8(10)7(4-2)6-9/h3,5H,4,6,9-10H2,1-2H3/b5-3-,8-7-
InChIKeyRHCHOAVIEMICGZ-OVRZELKPSA-N
XLogP1.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-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 (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine?
The IUPAC name of (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine (CID 122468761) is (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine.
What is the SMILES notation for (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine?
The canonical SMILES for (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine is C/C=C\C(N)=C(/CC)CN.
What is the InChIKey of (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine?
The InChIKey is RHCHOAVIEMICGZ-OVRZELKPSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-8(10)7(4-2)6-9/h3,5H,4,6,9-10H2,1-2H3/b5-3-,8-7-.
What are the key properties of (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine?
(2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-ethylhexa-2,4-diene-1,3-diamine is sourced from PubChem (CID 122468761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).