(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine

C₈H₁₆N₂ — CID 88543575

About (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine

(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine (PubChem CID 88543575) has the molecular formula C₈H₁₆N₂ and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine.

Molecular Properties

• Compound Name: (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine
• PubChem CID: 88543575
• Molecular Formula: C₈H₁₆N₂
• Molecular Weight: 140.23 g/mol
• Exact Mass: 140.13
• IUPAC Name: (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine
• SMILES: C=CN/C(C)=C(\C)CCN
• InChI: InChI=1S/C8H16N2/c1-4-10-8(3)7(2)5-6-9/h4,10H,1,5-6,9H2,2-3H3/b8-7+
• InChIKey: OGMSADXHFHOPJE-BQYQJAHWSA-N
• XLogP: 1.36
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	140.23
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine?

The IUPAC name of (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine (CID 88543575) is (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine.

What is the SMILES notation for (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine?

The canonical SMILES for (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine is C=CN/C(C)=C(\C)CCN.

What is the InChIKey of (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine?

The InChIKey is OGMSADXHFHOPJE-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-10-8(3)7(2)5-6-9/h4,10H,1,5-6,9H2,2-3H3/b8-7+.

What are the key properties of (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine?

(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine is sourced from PubChem (CID 88543575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 88543575 — identifiers, structure, computed properties (public domain)

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