9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol

C15H27NO — CID 171952157

IUPAC9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)=CCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C15H27NO/c1-12(2)6-5-9-15(17)10-13-7-4-8-14(11-15)16(13)3/h6,13-14,17H,4-5,7-11H2,1-3H3
InChIKeyPXUJBCFLIRCVAY-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds3

About 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952157) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952157
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)=CCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C15H27NO/c1-12(2)6-5-9-15(17)10-13-7-4-8-14(11-15)16(13)3/h6,13-14,17H,4-5,7-11H2,1-3H3
InChIKeyPXUJBCFLIRCVAY-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
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 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952157) is 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol is CC(C)=CCCC1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is PXUJBCFLIRCVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)6-5-9-15(17)10-13-7-4-8-14(11-15)16(13)3/h6,13-14,17H,4-5,7-11H2,1-3H3.
What are the key properties of 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 237.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(4-methylpent-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).