3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol

C12H21NO — CID 139319942

IUPAC3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol
SMILESCNC12CC(=CC(C)C1)CC(C)(O)C2
InChIInChI=1S/C12H21NO/c1-9-4-10-6-11(2,14)8-12(5-9,7-10)13-3/h4,9,13-14H,5-8H2,1-3H3
InChIKeyCFNBBFKNJPOVFQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.85
Rot. Bonds1

About 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol

3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol (PubChem CID 139319942) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol
PubChem CID139319942
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol
SMILESCNC12CC(=CC(C)C1)CC(C)(O)C2
InChIInChI=1S/C12H21NO/c1-9-4-10-6-11(2,14)8-12(5-9,7-10)13-3/h4,9,13-14H,5-8H2,1-3H3
InChIKeyCFNBBFKNJPOVFQ-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol?
The IUPAC name of 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol (CID 139319942) is 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol.
What is the SMILES notation for 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol?
The canonical SMILES for 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol is CNC12CC(=CC(C)C1)CC(C)(O)C2.
What is the InChIKey of 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol?
The InChIKey is CFNBBFKNJPOVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-4-10-6-11(2,14)8-12(5-9,7-10)13-3/h4,9,13-14H,5-8H2,1-3H3.
What are the key properties of 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol?
3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-(methylamino)bicyclo[3.3.1]non-1(8)-en-3-ol is sourced from PubChem (CID 139319942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).