(Z)-2-iminohept-3-en-1-amine

C₇H₁₄N₂ — CID 91316058

About (Z)-2-iminohept-3-en-1-amine

(Z)-2-iminohept-3-en-1-amine (PubChem CID 91316058) has the molecular formula C₇H₁₄N₂ and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-2-iminohept-3-en-1-amine.

Molecular Properties

• Compound Name: (Z)-2-iminohept-3-en-1-amine
• PubChem CID: 91316058
• Molecular Formula: C₇H₁₄N₂
• Molecular Weight: 126.20 g/mol
• Exact Mass: 126.12
• IUPAC Name: (Z)-2-iminohept-3-en-1-amine
• SMILES: [H]/N=C(/C=C\CCC)CN
• InChI: InChI=1S/C7H14N2/c1-2-3-4-5-7(9)6-8/h4-5,9H,2-3,6,8H2,1H3/b5-4-,9-7-
• InChIKey: JFWGTBDGUSPOSZ-PHSHQRSZSA-N
• XLogP: 1.32
• TPSA: 49.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	126.20
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-iminohept-3-en-1-amine?

The IUPAC name of (Z)-2-iminohept-3-en-1-amine (CID 91316058) is (Z)-2-iminohept-3-en-1-amine.

What is the SMILES notation for (Z)-2-iminohept-3-en-1-amine?

The canonical SMILES for (Z)-2-iminohept-3-en-1-amine is [H]/N=C(/C=C\CCC)CN.

What is the InChIKey of (Z)-2-iminohept-3-en-1-amine?

The InChIKey is JFWGTBDGUSPOSZ-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-4-5-7(9)6-8/h4-5,9H,2-3,6,8H2,1H3/b5-4-,9-7-.

What are the key properties of (Z)-2-iminohept-3-en-1-amine?

(Z)-2-iminohept-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-iminohept-3-en-1-amine is sourced from PubChem (CID 91316058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91316058 — identifiers, structure, computed properties (public domain)

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