(Z)-N-methylhex-4-en-3-imine

C₇H₁₃N — CID 123220444

About (Z)-N-methylhex-4-en-3-imine

(Z)-N-methylhex-4-en-3-imine (PubChem CID 123220444) has the molecular formula C₇H₁₃N and a molecular weight of 111.19 g/mol. Its IUPAC name is (Z)-N-methylhex-4-en-3-imine.

Molecular Properties

• Compound Name: (Z)-N-methylhex-4-en-3-imine
• PubChem CID: 123220444
• Molecular Formula: C₇H₁₃N
• Molecular Weight: 111.19 g/mol
• Exact Mass: 111.10
• IUPAC Name: (Z)-N-methylhex-4-en-3-imine
• SMILES: C/C=C\C(CC)=N\C
• InChI: InChI=1S/C7H13N/c1-4-6-7(5-2)8-3/h4,6H,5H2,1-3H3/b6-4-,8-7+
• InChIKey: HVJGZQWPJJWYAO-IQTBQJLQSA-N
• XLogP: 2.04
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	111.19
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methylhex-4-en-3-imine?

The IUPAC name of (Z)-N-methylhex-4-en-3-imine (CID 123220444) is (Z)-N-methylhex-4-en-3-imine.

What is the SMILES notation for (Z)-N-methylhex-4-en-3-imine?

The canonical SMILES for (Z)-N-methylhex-4-en-3-imine is C/C=C\C(CC)=N\C.

What is the InChIKey of (Z)-N-methylhex-4-en-3-imine?

The InChIKey is HVJGZQWPJJWYAO-IQTBQJLQSA-N. The full InChI is InChI=1S/C7H13N/c1-4-6-7(5-2)8-3/h4,6H,5H2,1-3H3/b6-4-,8-7+.

What are the key properties of (Z)-N-methylhex-4-en-3-imine?

(Z)-N-methylhex-4-en-3-imine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-methylhex-4-en-3-imine is sourced from PubChem (CID 123220444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123220444 — identifiers, structure, computed properties (public domain)

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