cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

C13H22N2O — CID 134506569

IUPACcyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)C1CCC1
InChIInChI=1S/C13H22N2O/c1-9(2)14-7-11-6-12(8-14)15(11)13(16)10-4-3-5-10/h9-12H,3-8H2,1-2H3
InChIKeyFIQBDZZBUFLFAI-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.48
Rot. Bonds2

About cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (PubChem CID 134506569) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
PubChem CID134506569
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Namecyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)C1CCC1
InChIInChI=1S/C13H22N2O/c1-9(2)14-7-11-6-12(8-14)15(11)13(16)10-4-3-5-10/h9-12H,3-8H2,1-2H3
InChIKeyFIQBDZZBUFLFAI-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506567
piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 156837063
2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 146393528
cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
CID 160651295
2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone
CID 165053063
(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 170175039
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 897689
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 89459187
cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
CID 171574735

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The IUPAC name of cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (CID 134506569) is cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.
What is the SMILES notation for cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The canonical SMILES for cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is CC(C)N1CC2CC(C1)N2C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The InChIKey is FIQBDZZBUFLFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)14-7-11-6-12(8-14)15(11)13(16)10-4-3-5-10/h9-12H,3-8H2,1-2H3.
What are the key properties of cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is sourced from PubChem (CID 134506569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).