8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H21NO — CID 63769257

IUPAC8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)=CCN1C2CCC1CC(O)C2
InChIInChI=1S/C12H21NO/c1-9(2)5-6-13-10-3-4-11(13)8-12(14)7-10/h5,10-12,14H,3-4,6-8H2,1-2H3
InChIKeyHKMAHRSLZXLHBH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds2

About 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769257) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769257
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)=CCN1C2CCC1CC(O)C2
InChIInChI=1S/C12H21NO/c1-9(2)5-6-13-10-3-4-11(13)8-12(14)7-10/h5,10-12,14H,3-4,6-8H2,1-2H3
InChIKeyHKMAHRSLZXLHBH-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
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 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63769257) is 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)=CCN1C2CCC1CC(O)C2.
What is the InChIKey of 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HKMAHRSLZXLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)5-6-13-10-3-4-11(13)8-12(14)7-10/h5,10-12,14H,3-4,6-8H2,1-2H3.
What are the key properties of 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 195.31 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 8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).