N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine

C₁₁H₁₇N — CID 130246564

About N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine

N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine (PubChem CID 130246564) has the molecular formula C₁₁H₁₇N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine.

Molecular Properties

• Compound Name: N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine
• PubChem CID: 130246564
• Molecular Formula: C₁₁H₁₇N
• Molecular Weight: 163.26 g/mol
• Exact Mass: 163.14
• IUPAC Name: N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine
• SMILES: C=C/C=C(\N=C\C=C)C(C)CC
• InChI: InChI=1S/C11H17N/c1-5-8-11(10(4)7-3)12-9-6-2/h5-6,8-10H,1-2,7H2,3-4H3/b11-8-,12-9+
• InChIKey: HEOHVTGJCIOQAU-QABOREQESA-N
• XLogP: 3.36
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	163.26
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine?

The IUPAC name of N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine (CID 130246564) is N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine.

What is the SMILES notation for N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine?

The canonical SMILES for N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine is C=C/C=C(\N=C\C=C)C(C)CC.

What is the InChIKey of N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine?

The InChIKey is HEOHVTGJCIOQAU-QABOREQESA-N. The full InChI is InChI=1S/C11H17N/c1-5-8-11(10(4)7-3)12-9-6-2/h5-6,8-10H,1-2,7H2,3-4H3/b11-8-,12-9+.

What are the key properties of N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine?

N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3Z)-5-methylhepta-1,3-dien-4-yl]prop-2-en-1-imine is sourced from PubChem (CID 130246564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130246564 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.