(3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol

C9H17NO — CID 123338308

IUPAC(3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol
SMILESCC1CC2CC(CO)C(C1)N2
InChIInChI=1S/C9H17NO/c1-6-2-8-4-7(5-11)9(3-6)10-8/h6-11H,2-5H2,1H3
InChIKeyPMNCCAOIAOPYDF-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.76
Rot. Bonds1

About (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol

(3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol (PubChem CID 123338308) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol.

Molecular Properties

Compound Name(3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol
PubChem CID123338308
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol
SMILESCC1CC2CC(CO)C(C1)N2
InChIInChI=1S/C9H17NO/c1-6-2-8-4-7(5-11)9(3-6)10-8/h6-11H,2-5H2,1H3
InChIKeyPMNCCAOIAOPYDF-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol?
The IUPAC name of (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol (CID 123338308) is (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol.
What is the SMILES notation for (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol?
The canonical SMILES for (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol is CC1CC2CC(CO)C(C1)N2.
What is the InChIKey of (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol?
The InChIKey is PMNCCAOIAOPYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-2-8-4-7(5-11)9(3-6)10-8/h6-11H,2-5H2,1H3.
What are the key properties of (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol?
(3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol is sourced from PubChem (CID 123338308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).