(E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine

C₁₁H₂₁N — CID 15063983

About (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine

(E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine (PubChem CID 15063983) has the molecular formula C₁₁H₂₁N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine.

Molecular Properties

• Compound Name: (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine
• PubChem CID: 15063983
• Molecular Formula: C₁₁H₂₁N
• Molecular Weight: 167.30 g/mol
• Exact Mass: 167.17
• IUPAC Name: (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine
• SMILES: C=CCN(/C=C/CC)CC(C)C
• InChI: InChI=1S/C11H21N/c1-5-7-9-12(8-6-2)10-11(3)4/h6-7,9,11H,2,5,8,10H2,1,3-4H3/b9-7+
• InChIKey: ZMZQWIJCEGFAAR-VQHVLOKHSA-N
• XLogP: 3.05
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.30
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine?

The IUPAC name of (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine (CID 15063983) is (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine.

What is the SMILES notation for (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine?

The canonical SMILES for (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine is C=CCN(/C=C/CC)CC(C)C.

What is the InChIKey of (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine?

The InChIKey is ZMZQWIJCEGFAAR-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-9-12(8-6-2)10-11(3)4/h6-7,9,11H,2,5,8,10H2,1,3-4H3/b9-7+.

What are the key properties of (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine?

(E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine is sourced from PubChem (CID 15063983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15063983 — identifiers, structure, computed properties (public domain)

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