4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine

C₁₆H₂₅N — CID 116518274

About 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine

4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine (PubChem CID 116518274) has the molecular formula C₁₆H₂₅N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine.

Molecular Properties

• Compound Name: 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine
• PubChem CID: 116518274
• Molecular Formula: C₁₆H₂₅N
• Molecular Weight: 231.38 g/mol
• Exact Mass: 231.20
• IUPAC Name: 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine
• SMILES: CC(C)(C)C(N)CCC1CC1c1ccccc1
• InChI: InChI=1S/C16H25N/c1-16(2,3)15(17)10-9-13-11-14(13)12-7-5-4-6-8-12/h4-8,13-15H,9-11,17H2,1-3H3
• InChIKey: MGQWYYHXEFEOOO-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.38
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine?

The IUPAC name of 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine (CID 116518274) is 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine.

What is the SMILES notation for 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine?

The canonical SMILES for 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine is CC(C)(C)C(N)CCC1CC1c1ccccc1.

What is the InChIKey of 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine?

The InChIKey is MGQWYYHXEFEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)15(17)10-9-13-11-14(13)12-7-5-4-6-8-12/h4-8,13-15H,9-11,17H2,1-3H3.

What are the key properties of 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine?

4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine has a molecular weight of 231.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine is sourced from PubChem (CID 116518274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116518274 — identifiers, structure, computed properties (public domain)

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