2-Propylhex-2-en-1-imine

C₉H₁₇N — CID 10948349

About 2-Propylhex-2-en-1-imine

2-Propylhex-2-en-1-imine (PubChem CID 10948349) has the molecular formula C₉H₁₇N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-propylhex-2-en-1-imine.

Molecular Properties

• Compound Name: 2-Propylhex-2-en-1-imine
• PubChem CID: 10948349
• Molecular Formula: C₉H₁₇N
• Molecular Weight: 139.24 g/mol
• Exact Mass: 139.14
• IUPAC Name: 2-propylhex-2-en-1-imine
• SMILES: [H]/N=C/C(=CCCC)CCC
• InChI: InChI=1S/C9H17N/c1-3-5-7-9(8-10)6-4-2/h7-8,10H,3-6H2,1-2H3/b9-7?,10-8+
• InChIKey: YIJYRXVTBJYSTA-LSVQJBSPSA-N
• XLogP: 3.16
• TPSA: 23.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	139.24
LogP ≤ 5	3.16
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 2-Propylhex-2-en-1-imine?

The IUPAC name of 2-Propylhex-2-en-1-imine (CID 10948349) is 2-propylhex-2-en-1-imine.

What is the SMILES notation for 2-Propylhex-2-en-1-imine?

The canonical SMILES for 2-Propylhex-2-en-1-imine is [H]/N=C/C(=CCCC)CCC.

What is the InChIKey of 2-Propylhex-2-en-1-imine?

The InChIKey is YIJYRXVTBJYSTA-LSVQJBSPSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-7-9(8-10)6-4-2/h7-8,10H,3-6H2,1-2H3/b9-7?,10-8+.

What are the key properties of 2-Propylhex-2-en-1-imine?

2-Propylhex-2-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Propylhex-2-en-1-imine is sourced from PubChem (CID 10948349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10948349 — identifiers, structure, computed properties (public domain)

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