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

C10H19NO — CID 820388

IUPAC(1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)N1[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/t8-,9+,10?
InChIKeyYYDQYSQZIUSKFN-ULKQDVFKSA-N
MW169.27 g/mol
LogP1.38
Rot. Bonds1

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

(1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 820388) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID820388
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)N1[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/t8-,9+,10?
InChIKeyYYDQYSQZIUSKFN-ULKQDVFKSA-N
XLogP1.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 820388) is (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)N1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YYDQYSQZIUSKFN-ULKQDVFKSA-N. 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/t8-,9+,10?.
What are the key properties of (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 820388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).