2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine

C9H15N — CID 546878

IUPAC2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
SMILESCN(C)CCC1C=CC=C1
InChIInChI=1S/C9H15N/c1-10(2)8-7-9-5-3-4-6-9/h3-6,9H,7-8H2,1-2H3
InChIKeySFCRHPOEHQDOQD-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.68
Rot. Bonds3

About 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine

2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine (PubChem CID 546878) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
PubChem CID546878
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
SMILESCN(C)CCC1C=CC=C1
InChIInChI=1S/C9H15N/c1-10(2)8-7-9-5-3-4-6-9/h3-6,9H,7-8H2,1-2H3
InChIKeySFCRHPOEHQDOQD-UHFFFAOYSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine 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-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine (CID 546878) is 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine is CN(C)CCC1C=CC=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
The InChIKey is SFCRHPOEHQDOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-10(2)8-7-9-5-3-4-6-9/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine is sourced from PubChem (CID 546878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).