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

C12H23NO — CID 51893331

IUPAC(1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCN1[C@@H]2CCC[C@H]1CC(C)(O)C2
InChIInChI=1S/C12H23NO/c1-3-7-13-10-5-4-6-11(13)9-12(2,14)8-10/h10-11,14H,3-9H2,1-2H3/t10-,11+,12?
InChIKeyXFUJWSLJRYSKTJ-FOSCPWQOSA-N
MW197.32 g/mol
LogP2.16
Rot. Bonds2

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

(1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 51893331) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID51893331
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCN1[C@@H]2CCC[C@H]1CC(C)(O)C2
InChIInChI=1S/C12H23NO/c1-3-7-13-10-5-4-6-11(13)9-12(2,14)8-10/h10-11,14H,3-9H2,1-2H3/t10-,11+,12?
InChIKeyXFUJWSLJRYSKTJ-FOSCPWQOSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 51893331) is (1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol is CCCN1[C@@H]2CCC[C@H]1CC(C)(O)C2.
What is the InChIKey of (1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is XFUJWSLJRYSKTJ-FOSCPWQOSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-13-10-5-4-6-11(13)9-12(2,14)8-10/h10-11,14H,3-9H2,1-2H3/t10-,11+,12?.
What are the key properties of (1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
(1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 51893331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).