2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine

C12H23N — CID 139352425

IUPAC2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCC1CC(C)=CC1C
InChIInChI=1S/C12H23N/c1-5-13(4)7-6-12-9-10(2)8-11(12)3/h8,11-12H,5-7,9H2,1-4H3
InChIKeyZIQSEXDCRZXVIY-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.93
Rot. Bonds4

About 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine

2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine (PubChem CID 139352425) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine
PubChem CID139352425
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCC1CC(C)=CC1C
InChIInChI=1S/C12H23N/c1-5-13(4)7-6-12-9-10(2)8-11(12)3/h8,11-12H,5-7,9H2,1-4H3
InChIKeyZIQSEXDCRZXVIY-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine (CID 139352425) is 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine is CCN(C)CCC1CC(C)=CC1C.
What is the InChIKey of 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine?
The InChIKey is ZIQSEXDCRZXVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-13(4)7-6-12-9-10(2)8-11(12)3/h8,11-12H,5-7,9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine?
2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylcyclopent-3-en-1-yl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 139352425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).