(Z)-5-iminohept-3-en-3-amine

C7H14N2 — CID 166833734

IUPAC(Z)-5-iminohept-3-en-3-amine
SMILES[H]/N=C(/C=C(\N)CC)CC
InChIInChI=1S/C7H14N2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4,9H2,1-2H3/b7-5-,8-6+
InChIKeyNCEJVFHBQHPKTR-CGXWXWIYSA-N
MW126.20 g/mol
LogP1.67
Rot. Bonds3

About (Z)-5-iminohept-3-en-3-amine

(Z)-5-iminohept-3-en-3-amine (PubChem CID 166833734) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-5-iminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-5-iminohept-3-en-3-amine
PubChem CID166833734
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-5-iminohept-3-en-3-amine
SMILES[H]/N=C(/C=C(\N)CC)CC
InChIInChI=1S/C7H14N2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4,9H2,1-2H3/b7-5-,8-6+
InChIKeyNCEJVFHBQHPKTR-CGXWXWIYSA-N
XLogP1.67
TPSA49.87 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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-5-iminohept-3-en-3-amine 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 (Z)-5-iminohept-3-en-3-amine?
The IUPAC name of (Z)-5-iminohept-3-en-3-amine (CID 166833734) is (Z)-5-iminohept-3-en-3-amine.
What is the SMILES notation for (Z)-5-iminohept-3-en-3-amine?
The canonical SMILES for (Z)-5-iminohept-3-en-3-amine is [H]/N=C(/C=C(\N)CC)CC.
What is the InChIKey of (Z)-5-iminohept-3-en-3-amine?
The InChIKey is NCEJVFHBQHPKTR-CGXWXWIYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4,9H2,1-2H3/b7-5-,8-6+.
What are the key properties of (Z)-5-iminohept-3-en-3-amine?
(Z)-5-iminohept-3-en-3-amine has a molecular weight of 126.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-iminohept-3-en-3-amine is sourced from PubChem (CID 166833734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).