2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C16H28N2O2 — CID 114513050

IUPAC2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCNC(CN1C(=O)C2CC(C)CC2C1=O)C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-6-17-13(16(3,4)5)9-18-14(19)11-7-10(2)8-12(11)15(18)20/h10-13,17H,6-9H2,1-5H3
InChIKeyLAHBWCKRANQOKE-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.04
Rot. Bonds4

About 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513050) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513050
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCNC(CN1C(=O)C2CC(C)CC2C1=O)C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-6-17-13(16(3,4)5)9-18-14(19)11-7-10(2)8-12(11)15(18)20/h10-13,17H,6-9H2,1-5H3
InChIKeyLAHBWCKRANQOKE-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-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 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513050) is 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCNC(CN1C(=O)C2CC(C)CC2C1=O)C(C)(C)C.
What is the InChIKey of 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is LAHBWCKRANQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-17-13(16(3,4)5)9-18-14(19)11-7-10(2)8-12(11)15(18)20/h10-13,17H,6-9H2,1-5H3.
What are the key properties of 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 280.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-3,3-dimethylbutyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).