1-naphthalen-1-yl-N-propylbut-3-en-2-amine

C₁₇H₂₁N — CID 105161170

About 1-naphthalen-1-yl-N-propylbut-3-en-2-amine

1-naphthalen-1-yl-N-propylbut-3-en-2-amine (PubChem CID 105161170) has the molecular formula C₁₇H₂₁N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-propylbut-3-en-2-amine.

Molecular Properties

• Compound Name: 1-naphthalen-1-yl-N-propylbut-3-en-2-amine
• PubChem CID: 105161170
• Molecular Formula: C₁₇H₂₁N
• Molecular Weight: 239.36 g/mol
• Exact Mass: 239.17
• IUPAC Name: 1-naphthalen-1-yl-N-propylbut-3-en-2-amine
• SMILES: C=CC(Cc1cccc2ccccc12)NCCC
• InChI: InChI=1S/C17H21N/c1-3-12-18-16(4-2)13-15-10-7-9-14-8-5-6-11-17(14)15/h4-11,16,18H,2-3,12-13H2,1H3
• InChIKey: DGKNUGMRKOLUJH-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.36
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
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 1-naphthalen-1-yl-N-propylbut-3-en-2-amine?

The IUPAC name of 1-naphthalen-1-yl-N-propylbut-3-en-2-amine (CID 105161170) is 1-naphthalen-1-yl-N-propylbut-3-en-2-amine.

What is the SMILES notation for 1-naphthalen-1-yl-N-propylbut-3-en-2-amine?

The canonical SMILES for 1-naphthalen-1-yl-N-propylbut-3-en-2-amine is C=CC(Cc1cccc2ccccc12)NCCC.

What is the InChIKey of 1-naphthalen-1-yl-N-propylbut-3-en-2-amine?

The InChIKey is DGKNUGMRKOLUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-12-18-16(4-2)13-15-10-7-9-14-8-5-6-11-17(14)15/h4-11,16,18H,2-3,12-13H2,1H3.

What are the key properties of 1-naphthalen-1-yl-N-propylbut-3-en-2-amine?

1-naphthalen-1-yl-N-propylbut-3-en-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-naphthalen-1-yl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 105161170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105161170 — identifiers, structure, computed properties (public domain)

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