N-(3-methylcyclobutyl)oxepan-4-amine

C₁₁H₂₁NO — CID 115892454

About N-(3-methylcyclobutyl)oxepan-4-amine

N-(3-methylcyclobutyl)oxepan-4-amine (PubChem CID 115892454) has the molecular formula C₁₁H₂₁NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)oxepan-4-amine.

Molecular Properties

• Compound Name: N-(3-methylcyclobutyl)oxepan-4-amine
• PubChem CID: 115892454
• Molecular Formula: C₁₁H₂₁NO
• Molecular Weight: 183.29 g/mol
• Exact Mass: 183.16
• IUPAC Name: N-(3-methylcyclobutyl)oxepan-4-amine
• SMILES: CC1CC(NC2CCCOCC2)C1
• InChI: InChI=1S/C11H21NO/c1-9-7-11(8-9)12-10-3-2-5-13-6-4-10/h9-12H,2-8H2,1H3
• InChIKey: CWUSJCWTGPFWBO-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.29
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)oxepan-4-amine?

The IUPAC name of N-(3-methylcyclobutyl)oxepan-4-amine (CID 115892454) is N-(3-methylcyclobutyl)oxepan-4-amine.

What is the SMILES notation for N-(3-methylcyclobutyl)oxepan-4-amine?

The canonical SMILES for N-(3-methylcyclobutyl)oxepan-4-amine is CC1CC(NC2CCCOCC2)C1.

What is the InChIKey of N-(3-methylcyclobutyl)oxepan-4-amine?

The InChIKey is CWUSJCWTGPFWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-7-11(8-9)12-10-3-2-5-13-6-4-10/h9-12H,2-8H2,1H3.

What are the key properties of N-(3-methylcyclobutyl)oxepan-4-amine?

N-(3-methylcyclobutyl)oxepan-4-amine has a molecular weight of 183.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylcyclobutyl)oxepan-4-amine is sourced from PubChem (CID 115892454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115892454 — identifiers, structure, computed properties (public domain)

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