(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol

C9H17NO — CID 22056633

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESCN1C2CCC1CC(CO)C2
InChIInChI=1S/C9H17NO/c1-10-8-2-3-9(10)5-7(4-8)6-11/h7-9,11H,2-6H2,1H3
InChIKeyBIGDJAVQKHVADY-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds1

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (PubChem CID 22056633) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
PubChem CID22056633
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESCN1C2CCC1CC(CO)C2
InChIInChI=1S/C9H17NO/c1-10-8-2-3-9(10)5-7(4-8)6-11/h7-9,11H,2-6H2,1H3
InChIKeyBIGDJAVQKHVADY-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (CID 22056633) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is CN1C2CCC1CC(CO)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The InChIKey is BIGDJAVQKHVADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-8-2-3-9(10)5-7(4-8)6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is sourced from PubChem (CID 22056633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).