(1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol

C8H16NO+ — CID 6931969

IUPAC(1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC[NH+]1[C@@H]2CC[C@@H]1CC(O)C2
InChIInChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/p+1/t6-,7-/m1/s1
InChIKeyCYHOMWAPJJPNMW-RNFRBKRXSA-O
MW142.22 g/mol
LogP-0.81
Rot. Bonds

About (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol

(1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol (PubChem CID 6931969) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
PubChem CID6931969
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC[NH+]1[C@@H]2CC[C@@H]1CC(O)C2
InChIInChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/p+1/t6-,7-/m1/s1
InChIKeyCYHOMWAPJJPNMW-RNFRBKRXSA-O
XLogP-0.81
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol (CID 6931969) is (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol is C[NH+]1[C@@H]2CC[C@@H]1CC(O)C2.
What is the InChIKey of (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The InChIKey is CYHOMWAPJJPNMW-RNFRBKRXSA-O. The full InChI is InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/p+1/t6-,7-/m1/s1.
What are the key properties of (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
(1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol has a molecular weight of 142.22 g/mol, XLogP of -0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 6931969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).