N-hept-3-en-4-ylmethanimine

C₈H₁₅N — CID 169264057

About N-hept-3-en-4-ylmethanimine

N-hept-3-en-4-ylmethanimine (PubChem CID 169264057) has the molecular formula C₈H₁₅N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-hept-3-en-4-ylmethanimine.

Molecular Properties

• Compound Name: N-hept-3-en-4-ylmethanimine
• PubChem CID: 169264057
• Molecular Formula: C₈H₁₅N
• Molecular Weight: 125.21 g/mol
• Exact Mass: 125.12
• IUPAC Name: N-hept-3-en-4-ylmethanimine
• SMILES: C=NC(=CCC)CCC
• InChI: InChI=1S/C8H15N/c1-4-6-8(9-3)7-5-2/h6H,3-5,7H2,1-2H3
• InChIKey: YUXBMHRTTCXPSZ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	125.21
LogP ≤ 5	2.78
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 N-hept-3-en-4-ylmethanimine?

The IUPAC name of N-hept-3-en-4-ylmethanimine (CID 169264057) is N-hept-3-en-4-ylmethanimine.

What is the SMILES notation for N-hept-3-en-4-ylmethanimine?

The canonical SMILES for N-hept-3-en-4-ylmethanimine is C=NC(=CCC)CCC.

What is the InChIKey of N-hept-3-en-4-ylmethanimine?

The InChIKey is YUXBMHRTTCXPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8(9-3)7-5-2/h6H,3-5,7H2,1-2H3.

What are the key properties of N-hept-3-en-4-ylmethanimine?

N-hept-3-en-4-ylmethanimine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-hept-3-en-4-ylmethanimine is sourced from PubChem (CID 169264057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169264057 — identifiers, structure, computed properties (public domain)

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