3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione

C17H30N2O2 — CID 64742275

IUPAC3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NC2CCC(C)C(C)C2)C1=O
InChIInChI=1S/C17H30N2O2/c1-5-14(6-2)19-16(20)10-15(17(19)21)18-13-8-7-11(3)12(4)9-13/h11-15,18H,5-10H2,1-4H3
InChIKeyKYTBYOVENLANIN-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds5

About 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione

3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 64742275) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID64742275
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NC2CCC(C)C(C)C2)C1=O
InChIInChI=1S/C17H30N2O2/c1-5-14(6-2)19-16(20)10-15(17(19)21)18-13-8-7-11(3)12(4)9-13/h11-15,18H,5-10H2,1-4H3
InChIKeyKYTBYOVENLANIN-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione (CID 64742275) is 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione is CCC(CC)N1C(=O)CC(NC2CCC(C)C(C)C2)C1=O.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is KYTBYOVENLANIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-14(6-2)19-16(20)10-15(17(19)21)18-13-8-7-11(3)12(4)9-13/h11-15,18H,5-10H2,1-4H3.
What are the key properties of 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione?
3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)amino]-1-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 64742275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).