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

C10H20NO+ — CID 11860232

IUPAC(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESCCC[NH+]1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C10H19NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3/p+1/t8-,9+,10?
InChIKeyICLCILJDFDMZEP-ULKQDVFKSA-O
MW170.28 g/mol
LogP-0.03
Rot. Bonds2

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

(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol (PubChem CID 11860232) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is (1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol
PubChem CID11860232
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESCCC[NH+]1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C10H19NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3/p+1/t8-,9+,10?
InChIKeyICLCILJDFDMZEP-ULKQDVFKSA-O
XLogP-0.03
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol (CID 11860232) is (1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol is CCC[NH+]1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The InChIKey is ICLCILJDFDMZEP-ULKQDVFKSA-O. The full InChI is InChI=1S/C10H19NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3/p+1/t8-,9+,10?.
What are the key properties of (1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol has a molecular weight of 170.28 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 11860232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).