3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one

C14H26N2O — CID 21293379

IUPAC3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCCCN1CC2CCC(N(C)C)C(C1)C2=O
InChIInChI=1S/C14H26N2O/c1-4-5-8-16-9-11-6-7-13(15(2)3)12(10-16)14(11)17/h11-13H,4-10H2,1-3H3
InChIKeyFUOYATHKORBDMW-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds4

About 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one

3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one (PubChem CID 21293379) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
PubChem CID21293379
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCCCN1CC2CCC(N(C)C)C(C1)C2=O
InChIInChI=1S/C14H26N2O/c1-4-5-8-16-9-11-6-7-13(15(2)3)12(10-16)14(11)17/h11-13H,4-10H2,1-3H3
InChIKeyFUOYATHKORBDMW-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one (CID 21293379) is 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one is CCCCN1CC2CCC(N(C)C)C(C1)C2=O.
What is the InChIKey of 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is FUOYATHKORBDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-8-16-9-11-6-7-13(15(2)3)12(10-16)14(11)17/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one?
3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 238.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 21293379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).