3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C13H20N2O2 — CID 65480353

IUPAC3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CC3(CCN)CC3)C(=O)C21
InChIInChI=1S/C13H20N2O2/c1-12(2)8-9(12)11(17)15(10(8)16)7-13(3-4-13)5-6-14/h8-9H,3-7,14H2,1-2H3
InChIKeyFQQLPHGHSVDKMO-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.76
Rot. Bonds4

About 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 65480353) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID65480353
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CC3(CCN)CC3)C(=O)C21
InChIInChI=1S/C13H20N2O2/c1-12(2)8-9(12)11(17)15(10(8)16)7-13(3-4-13)5-6-14/h8-9H,3-7,14H2,1-2H3
InChIKeyFQQLPHGHSVDKMO-UHFFFAOYSA-N
XLogP0.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 65480353) is 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1(C)C2C(=O)N(CC3(CCN)CC3)C(=O)C21.
What is the InChIKey of 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is FQQLPHGHSVDKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-12(2)8-9(12)11(17)15(10(8)16)7-13(3-4-13)5-6-14/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 236.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-aminoethyl)cyclopropyl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 65480353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).