(2E,4Z)-hepta-2,4-diene-1,2-diamine

C7H14N2 — CID 87415335

IUPAC(2E,4Z)-hepta-2,4-diene-1,2-diamine
SMILESCC/C=C\C=C(\N)CN
InChIInChI=1S/C7H14N2/c1-2-3-4-5-7(9)6-8/h3-5H,2,6,8-9H2,1H3/b4-3-,7-5+
InChIKeyFSKRRRJPZXFILS-QVXLNCAUSA-N
MW126.20 g/mol
LogP0.75
Rot. Bonds3

About (2E,4Z)-hepta-2,4-diene-1,2-diamine

(2E,4Z)-hepta-2,4-diene-1,2-diamine (PubChem CID 87415335) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (2E,4Z)-hepta-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name(2E,4Z)-hepta-2,4-diene-1,2-diamine
PubChem CID87415335
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(2E,4Z)-hepta-2,4-diene-1,2-diamine
SMILESCC/C=C\C=C(\N)CN
InChIInChI=1S/C7H14N2/c1-2-3-4-5-7(9)6-8/h3-5H,2,6,8-9H2,1H3/b4-3-,7-5+
InChIKeyFSKRRRJPZXFILS-QVXLNCAUSA-N
XLogP0.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z)-hepta-2,4-diene-1,2-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 (2E,4Z)-hepta-2,4-diene-1,2-diamine?
The IUPAC name of (2E,4Z)-hepta-2,4-diene-1,2-diamine (CID 87415335) is (2E,4Z)-hepta-2,4-diene-1,2-diamine.
What is the SMILES notation for (2E,4Z)-hepta-2,4-diene-1,2-diamine?
The canonical SMILES for (2E,4Z)-hepta-2,4-diene-1,2-diamine is CC/C=C\C=C(\N)CN.
What is the InChIKey of (2E,4Z)-hepta-2,4-diene-1,2-diamine?
The InChIKey is FSKRRRJPZXFILS-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-4-5-7(9)6-8/h3-5H,2,6,8-9H2,1H3/b4-3-,7-5+.
What are the key properties of (2E,4Z)-hepta-2,4-diene-1,2-diamine?
(2E,4Z)-hepta-2,4-diene-1,2-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-hepta-2,4-diene-1,2-diamine is sourced from PubChem (CID 87415335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).