3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C11H21NO — CID 21304868

IUPAC3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)N1C2CCC1CC(C)(O)C2
InChIInChI=1S/C11H21NO/c1-8(2)12-9-4-5-10(12)7-11(3,13)6-9/h8-10,13H,4-7H2,1-3H3
InChIKeyWZUXCSQDGUYZOW-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.77
Rot. Bonds1

About 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 21304868) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID21304868
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)N1C2CCC1CC(C)(O)C2
InChIInChI=1S/C11H21NO/c1-8(2)12-9-4-5-10(12)7-11(3,13)6-9/h8-10,13H,4-7H2,1-3H3
InChIKeyWZUXCSQDGUYZOW-UHFFFAOYSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 21304868) is 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)N1C2CCC1CC(C)(O)C2.
What is the InChIKey of 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WZUXCSQDGUYZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)12-9-4-5-10(12)7-11(3,13)6-9/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 21304868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).