5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine

C₁₁H₁₈N₂ — CID 156720532

About 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine

5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine (PubChem CID 156720532) has the molecular formula C₁₁H₁₈N₂ and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine.

Molecular Properties

• Compound Name: 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine
• PubChem CID: 156720532
• Molecular Formula: C₁₁H₁₈N₂
• Molecular Weight: 178.28 g/mol
• Exact Mass: 178.15
• IUPAC Name: 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine
• SMILES: CCC/C=C(\C)C1=CN=C(N)CC1
• InChI: InChI=1S/C11H18N2/c1-3-4-5-9(2)10-6-7-11(12)13-8-10/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13)/b9-5+
• InChIKey: WJHUTCGYTVNQOY-WEVVVXLNSA-N
• XLogP: 2.77
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	178.28
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine?

The IUPAC name of 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine (CID 156720532) is 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine.

What is the SMILES notation for 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine?

The canonical SMILES for 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine is CCC/C=C(\C)C1=CN=C(N)CC1.

What is the InChIKey of 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine?

The InChIKey is WJHUTCGYTVNQOY-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-5-9(2)10-6-7-11(12)13-8-10/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13)/b9-5+.

What are the key properties of 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine?

5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 156720532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156720532 — identifiers, structure, computed properties (public domain)

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