N-but-1-en-2-yl-N-methylbutan-1-amine

C₉H₁₉N — CID 123604210

About N-but-1-en-2-yl-N-methylbutan-1-amine

N-but-1-en-2-yl-N-methylbutan-1-amine (PubChem CID 123604210) has the molecular formula C₉H₁₉N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-methylbutan-1-amine.

Molecular Properties

• Compound Name: N-but-1-en-2-yl-N-methylbutan-1-amine
• PubChem CID: 123604210
• Molecular Formula: C₉H₁₉N
• Molecular Weight: 141.26 g/mol
• Exact Mass: 141.15
• IUPAC Name: N-but-1-en-2-yl-N-methylbutan-1-amine
• SMILES: C=C(CC)N(C)CCCC
• InChI: InChI=1S/C9H19N/c1-5-7-8-10(4)9(3)6-2/h3,5-8H2,1-2,4H3
• InChIKey: GYQDSGIWQHKPQN-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	141.26
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-methylbutan-1-amine?

The IUPAC name of N-but-1-en-2-yl-N-methylbutan-1-amine (CID 123604210) is N-but-1-en-2-yl-N-methylbutan-1-amine.

What is the SMILES notation for N-but-1-en-2-yl-N-methylbutan-1-amine?

The canonical SMILES for N-but-1-en-2-yl-N-methylbutan-1-amine is C=C(CC)N(C)CCCC.

What is the InChIKey of N-but-1-en-2-yl-N-methylbutan-1-amine?

The InChIKey is GYQDSGIWQHKPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7-8-10(4)9(3)6-2/h3,5-8H2,1-2,4H3.

What are the key properties of N-but-1-en-2-yl-N-methylbutan-1-amine?

N-but-1-en-2-yl-N-methylbutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-1-en-2-yl-N-methylbutan-1-amine is sourced from PubChem (CID 123604210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123604210 — identifiers, structure, computed properties (public domain)

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