(1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol

C10H20NO+ — CID 933801

IUPAC(1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol
SMILESC[N+]1(C)[C@@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C10H20NO/c1-11(2)8-4-3-5-9(11)7-10(12)6-8/h8-10,12H,3-7H2,1-2H3/q+1/t8-,9+,10?
InChIKeyXSKUZMPOQPKJJL-ULKQDVFKSA-N
MW170.28 g/mol
LogP1.14
Rot. Bonds

About (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol

(1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol (PubChem CID 933801) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol
PubChem CID933801
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name(1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol
SMILESC[N+]1(C)[C@@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C10H20NO/c1-11(2)8-4-3-5-9(11)7-10(12)6-8/h8-10,12H,3-7H2,1-2H3/q+1/t8-,9+,10?
InChIKeyXSKUZMPOQPKJJL-ULKQDVFKSA-N
XLogP1.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol (CID 933801) is (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol is C[N+]1(C)[C@@H]2CCC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol?
The InChIKey is XSKUZMPOQPKJJL-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H20NO/c1-11(2)8-4-3-5-9(11)7-10(12)6-8/h8-10,12H,3-7H2,1-2H3/q+1/t8-,9+,10?.
What are the key properties of (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol?
(1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol has a molecular weight of 170.28 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 933801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).