(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

C9H17NO — CID 13492560

IUPAC(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1[C@@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C9H17NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3/t7-,8+,9?
InChIKeyOBRHCKXFNZFNBV-JVHMLUBASA-N
MW155.24 g/mol
LogP0.99
Rot. Bonds

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

(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 13492560) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID13492560
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1[C@@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C9H17NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3/t7-,8+,9?
InChIKeyOBRHCKXFNZFNBV-JVHMLUBASA-N
XLogP0.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 13492560) is (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is CN1[C@@H]2CCC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is OBRHCKXFNZFNBV-JVHMLUBASA-N. The full InChI is InChI=1S/C9H17NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3/t7-,8+,9?.
What are the key properties of (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 155.24 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 13492560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).