3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol

C₁₄H₂₅NO — CID 170278572

About 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol

3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol (PubChem CID 170278572) has the molecular formula C₁₄H₂₅NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol.

Molecular Properties

• Compound Name: 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol
• PubChem CID: 170278572
• Molecular Formula: C₁₄H₂₅NO
• Molecular Weight: 223.36 g/mol
• Exact Mass: 223.19
• IUPAC Name: 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol
• SMILES: CC(C)N1C2CC=C(CCCO)CC1CC2
• InChI: InChI=1S/C14H25NO/c1-11(2)15-13-6-5-12(4-3-9-16)10-14(15)8-7-13/h5,11,13-14,16H,3-4,6-10H2,1-2H3
• InChIKey: FZZIVNGAJUHREU-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.36
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol?

The IUPAC name of 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol (CID 170278572) is 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol.

What is the SMILES notation for 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol?

The canonical SMILES for 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol is CC(C)N1C2CC=C(CCCO)CC1CC2.

What is the InChIKey of 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol?

The InChIKey is FZZIVNGAJUHREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)15-13-6-5-12(4-3-9-16)10-14(15)8-7-13/h5,11,13-14,16H,3-4,6-10H2,1-2H3.

What are the key properties of 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol?

3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol is sourced from PubChem (CID 170278572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170278572 — identifiers, structure, computed properties (public domain)

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