(1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol

C10H20NO+ — CID 6946859

IUPAC(1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESCC(C)[NH+]1[C@@H]2CC[C@@H]1CC(O)C2
InChIInChI=1S/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/p+1/t8-,9-/m1/s1
InChIKeyYYDQYSQZIUSKFN-RKDXNWHRSA-O
MW170.28 g/mol
LogP-0.03
Rot. Bonds1

About (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol

(1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol (PubChem CID 6946859) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol
PubChem CID6946859
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name(1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESCC(C)[NH+]1[C@@H]2CC[C@@H]1CC(O)C2
InChIInChI=1S/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/p+1/t8-,9-/m1/s1
InChIKeyYYDQYSQZIUSKFN-RKDXNWHRSA-O
XLogP-0.03
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
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 (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol (CID 6946859) is (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol is CC(C)[NH+]1[C@@H]2CC[C@@H]1CC(O)C2.
What is the InChIKey of (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol?
The InChIKey is YYDQYSQZIUSKFN-RKDXNWHRSA-O. The full InChI is InChI=1S/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/p+1/t8-,9-/m1/s1.
What are the key properties of (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol?
(1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol has a molecular weight of 170.28 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 6946859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).