2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C11H20N2O — CID 166944690

IUPAC2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCN1CC2CC(NC3COC3)CC2C1
InChIInChI=1S/C11H20N2O/c1-13-4-8-2-10(3-9(8)5-13)12-11-6-14-7-11/h8-12H,2-7H2,1H3
InChIKeyKLIGVIYIRREYJN-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.31
Rot. Bonds2

About 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 166944690) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID166944690
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCN1CC2CC(NC3COC3)CC2C1
InChIInChI=1S/C11H20N2O/c1-13-4-8-2-10(3-9(8)5-13)12-11-6-14-7-11/h8-12H,2-7H2,1H3
InChIKeyKLIGVIYIRREYJN-UHFFFAOYSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine 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 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 166944690) is 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is CN1CC2CC(NC3COC3)CC2C1.
What is the InChIKey of 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is KLIGVIYIRREYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13-4-8-2-10(3-9(8)5-13)12-11-6-14-7-11/h8-12H,2-7H2,1H3.
What are the key properties of 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 196.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 166944690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).