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

C14H25NO — CID 170278572

IUPAC3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol
SMILESCC(C)N1C2CC=C(CCCO)CC1CC2
InChIInChI=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
InChIKeyFZZIVNGAJUHREU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds4

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 Name3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol
PubChem CID170278572
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(9-propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol
SMILESCC(C)N1C2CC=C(CCCO)CC1CC2
InChIInChI=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
InChIKeyFZZIVNGAJUHREU-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).