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

C11H18N2O — CID 89273615

IUPAC3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CC2CC(C1)N2
InChIInChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3
InChIKeyLJEPPQATHWQMBV-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

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

3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone (PubChem CID 89273615) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone
PubChem CID89273615
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CC2CC(C1)N2
InChIInChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3
InChIKeyLJEPPQATHWQMBV-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1R,2R)-2-methylcyclopropyl]methanone
CID 89273630
1-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)-2-methylpropan-1-one
CID 53242130
Cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
CID 53242144
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1S,2S)-2-methylcyclopropyl]methanone
CID 69920740
Cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
CID 89273598
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1S,2R)-2-methylcyclopropyl]methanone
CID 89273626
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1R,2S)-2-methylcyclopropyl]methanone
CID 89273629
1-(4-Methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane
CID 59395247
3-Tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one
CID 67034859
Sdccgsbi-0118070.P001
CID 45212351
Cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 53242122
1-[(2S)-2-tert-butylpiperazin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 59124200

Frequently Asked Questions

What is the IUPAC name of 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone (CID 89273615) is 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)N1CC2CC(C1)N2.
What is the InChIKey of 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is LJEPPQATHWQMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone?
3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.1.1]heptan-3-yl-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 89273615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).