3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one

C13H24N2O — CID 159358190

IUPAC3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCN1C(=O)C2CCCC1CN(C(C)(C)C)C2
InChIInChI=1S/C13H24N2O/c1-13(2,3)15-8-10-6-5-7-11(9-15)14(4)12(10)16/h10-11H,5-9H2,1-4H3
InChIKeyDMCJZPJTCRACAT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds

About 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one

3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 159358190) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID159358190
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCN1C(=O)C2CCCC1CN(C(C)(C)C)C2
InChIInChI=1S/C13H24N2O/c1-13(2,3)15-8-10-6-5-7-11(9-15)14(4)12(10)16/h10-11H,5-9H2,1-4H3
InChIKeyDMCJZPJTCRACAT-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 75360754
9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 78149814
(1R,5S)-3-(1-tert-butylpyrrole-3-carbonyl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 90651349
7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
CID 73124558
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971
(1S,5R)-3-[(E)-3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enoyl]-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 131925601
formic acid;(1S,5R)-3-[3-(4-methoxyphenoxy)propyl]-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 154913924
1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine
CID 166650515
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione
CID 167951497
1-azabicyclo[3.1.1]heptan-6-one
CID 19842231

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one (CID 159358190) is 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one is CN1C(=O)C2CCCC1CN(C(C)(C)C)C2.
What is the InChIKey of 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is DMCJZPJTCRACAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)15-8-10-6-5-7-11(9-15)14(4)12(10)16/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 224.35 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 159358190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).