3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol

C12H23NO — CID 171952519

IUPAC3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)CC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C12H23NO/c1-9(2)6-12(14)7-10-4-3-5-11(8-12)13-10/h9-11,13-14H,3-8H2,1-2H3
InChIKeyUQPDPXRRTOSCAB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.07
Rot. Bonds2

About 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952519) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952519
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)CC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C12H23NO/c1-9(2)6-12(14)7-10-4-3-5-11(8-12)13-10/h9-11,13-14H,3-8H2,1-2H3
InChIKeyUQPDPXRRTOSCAB-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952519) is 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol is CC(C)CC1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is UQPDPXRRTOSCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)6-12(14)7-10-4-3-5-11(8-12)13-10/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).