9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol

C12H23NO — CID 171953156

IUPAC9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C12H23NO/c1-3-7-12(14)8-10-5-4-6-11(9-12)13(10)2/h10-11,14H,3-9H2,1-2H3
InChIKeyZLSYPNKSCMQHHM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.16
Rot. Bonds2

About 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171953156) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171953156
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C12H23NO/c1-3-7-12(14)8-10-5-4-6-11(9-12)13(10)2/h10-11,14H,3-9H2,1-2H3
InChIKeyZLSYPNKSCMQHHM-UHFFFAOYSA-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 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171953156) is 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol is CCCC1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is ZLSYPNKSCMQHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-12(14)8-10-5-4-6-11(9-12)13(10)2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-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 9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171953156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).