4-methylhexa-2,3-dien-1-imine

C7H11N — CID 20549624

About 4-methylhexa-2,3-dien-1-imine

4-methylhexa-2,3-dien-1-imine (PubChem CID 20549624) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-methylhexa-2,3-dien-1-imine.

Molecular Properties

• Compound Name: 4-methylhexa-2,3-dien-1-imine
• PubChem CID: 20549624
• Molecular Formula: C7H11N
• Molecular Weight: 109.17 g/mol
• Exact Mass: 109.09
• IUPAC Name: 4-methylhexa-2,3-dien-1-imine
• SMILES: [H]/N=C/C=C=C(C)CC
• InChI: InChI=1S/C7H11N/c1-3-7(2)5-4-6-8/h4,6,8H,3H2,1-2H3/b8-6+
• InChIKey: MKZKIGTYCXOKEN-SOFGYWHQSA-N
• XLogP: 2.15
• TPSA: 23.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	109.17
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
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 4-methylhexa-2,3-dien-1-imine?

The IUPAC name of 4-methylhexa-2,3-dien-1-imine (CID 20549624) is 4-methylhexa-2,3-dien-1-imine.

What is the SMILES notation for 4-methylhexa-2,3-dien-1-imine?

The canonical SMILES for 4-methylhexa-2,3-dien-1-imine is [H]/N=C/C=C=C(C)CC.

What is the InChIKey of 4-methylhexa-2,3-dien-1-imine?

The InChIKey is MKZKIGTYCXOKEN-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7(2)5-4-6-8/h4,6,8H,3H2,1-2H3/b8-6+.

What are the key properties of 4-methylhexa-2,3-dien-1-imine?

4-methylhexa-2,3-dien-1-imine has a molecular weight of 109.17 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methylhexa-2,3-dien-1-imine is sourced from PubChem (CID 20549624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).