3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine

C₁₁H₁₉NO — CID 115749687

About 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine

3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine (PubChem CID 115749687) has the molecular formula C₁₁H₁₉NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine.

Molecular Properties

• Compound Name: 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine
• PubChem CID: 115749687
• Molecular Formula: C₁₁H₁₉NO
• Molecular Weight: 181.28 g/mol
• Exact Mass: 181.15
• IUPAC Name: 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine
• SMILES: C#CCNC1CC(C)(OC)C1(C)C
• InChI: InChI=1S/C11H19NO/c1-6-7-12-9-8-11(4,13-5)10(9,2)3/h1,9,12H,7-8H2,2-5H3
• InChIKey: KORGYNZHILAEOJ-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.28
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine?

The IUPAC name of 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine (CID 115749687) is 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine.

What is the SMILES notation for 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine?

The canonical SMILES for 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine is C#CCNC1CC(C)(OC)C1(C)C.

What is the InChIKey of 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine?

The InChIKey is KORGYNZHILAEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-7-12-9-8-11(4,13-5)10(9,2)3/h1,9,12H,7-8H2,2-5H3.

What are the key properties of 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine?

3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine is sourced from PubChem (CID 115749687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115749687 — identifiers, structure, computed properties (public domain)

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