(1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine

C₁₀H₁₉N₃ — CID 155737997

About (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine

(1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine (PubChem CID 155737997) has the molecular formula C₁₀H₁₉N₃ and a molecular weight of 181.28 g/mol. Its IUPAC name is (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine.

Molecular Properties

• Compound Name: (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine
• PubChem CID: 155737997
• Molecular Formula: C₁₀H₁₉N₃
• Molecular Weight: 181.28 g/mol
• Exact Mass: 181.16
• IUPAC Name: (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine
• SMILES: CC1CCCN(/C(N)=C/C=C\N)C1
• InChI: InChI=1S/C10H19N3/c1-9-4-3-7-13(8-9)10(12)5-2-6-11/h2,5-6,9H,3-4,7-8,11-12H2,1H3/b6-2-,10-5+
• InChIKey: QSJOUZNJEVDADF-REELITMLSA-N
• XLogP: 0.99
• TPSA: 55.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.28
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine?

The IUPAC name of (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine (CID 155737997) is (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine.

What is the SMILES notation for (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine?

The canonical SMILES for (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine is CC1CCCN(/C(N)=C/C=C\N)C1.

What is the InChIKey of (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine?

The InChIKey is QSJOUZNJEVDADF-REELITMLSA-N. The full InChI is InChI=1S/C10H19N3/c1-9-4-3-7-13(8-9)10(12)5-2-6-11/h2,5-6,9H,3-4,7-8,11-12H2,1H3/b6-2-,10-5+.

What are the key properties of (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine?

(1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine is sourced from PubChem (CID 155737997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155737997 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.