9-cyclobutyl-9-azabicyclo[3.3.1]nonane

C12H21N — CID 23151237

IUPAC9-cyclobutyl-9-azabicyclo[3.3.1]nonane
SMILESC1CC(N2C3CCCC2CCC3)C1
InChIInChI=1S/C12H21N/c1-4-10-6-2-7-11(5-1)13(10)12-8-3-9-12/h10-12H,1-9H2
InChIKeyNUVNZNGBNZHAOF-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.95
Rot. Bonds1

About 9-cyclobutyl-9-azabicyclo[3.3.1]nonane

9-cyclobutyl-9-azabicyclo[3.3.1]nonane (PubChem CID 23151237) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 9-cyclobutyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-cyclobutyl-9-azabicyclo[3.3.1]nonane
PubChem CID23151237
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name9-cyclobutyl-9-azabicyclo[3.3.1]nonane
SMILESC1CC(N2C3CCCC2CCC3)C1
InChIInChI=1S/C12H21N/c1-4-10-6-2-7-11(5-1)13(10)12-8-3-9-12/h10-12H,1-9H2
InChIKeyNUVNZNGBNZHAOF-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-cyclobutyl-9-azabicyclo[3.3.1]nonane (CID 23151237) is 9-cyclobutyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-cyclobutyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-cyclobutyl-9-azabicyclo[3.3.1]nonane is C1CC(N2C3CCCC2CCC3)C1.
What is the InChIKey of 9-cyclobutyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is NUVNZNGBNZHAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-10-6-2-7-11(5-1)13(10)12-8-3-9-12/h10-12H,1-9H2.
What are the key properties of 9-cyclobutyl-9-azabicyclo[3.3.1]nonane?
9-cyclobutyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 179.31 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 23151237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).