3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine

C15H29N — CID 177162258

IUPAC3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine
SMILESCCC(C1CCC(C)=C1C)C(C)N(C)CC
InChIInChI=1S/C15H29N/c1-7-14(13(5)16(6)8-2)15-10-9-11(3)12(15)4/h13-15H,7-10H2,1-6H3
InChIKeyROSOARUZOKHBGR-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.10
Rot. Bonds5

About 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine

3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine (PubChem CID 177162258) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine
PubChem CID177162258
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine
SMILESCCC(C1CCC(C)=C1C)C(C)N(C)CC
InChIInChI=1S/C15H29N/c1-7-14(13(5)16(6)8-2)15-10-9-11(3)12(15)4/h13-15H,7-10H2,1-6H3
InChIKeyROSOARUZOKHBGR-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-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 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine?
The IUPAC name of 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine (CID 177162258) is 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine.
What is the SMILES notation for 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine?
The canonical SMILES for 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine is CCC(C1CCC(C)=C1C)C(C)N(C)CC.
What is the InChIKey of 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine?
The InChIKey is ROSOARUZOKHBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-7-14(13(5)16(6)8-2)15-10-9-11(3)12(15)4/h13-15H,7-10H2,1-6H3.
What are the key properties of 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine?
3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine has a molecular weight of 223.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylcyclopent-2-en-1-yl)-N-ethyl-N-methylpentan-2-amine is sourced from PubChem (CID 177162258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).