2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine

C14H19N — CID 160849656

IUPAC2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine
SMILESCCNCC(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C14H19N/c1-2-15-11-14(12-7-3-4-8-12)13-9-5-6-10-13/h3-10,12-15H,2,11H2,1H3
InChIKeyGJNIDJCOQONNEK-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.70
Rot. Bonds5

About 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine

2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine (PubChem CID 160849656) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine
PubChem CID160849656
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine
SMILESCCNCC(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C14H19N/c1-2-15-11-14(12-7-3-4-8-12)13-9-5-6-10-13/h3-10,12-15H,2,11H2,1H3
InChIKeyGJNIDJCOQONNEK-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine 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-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine?
The IUPAC name of 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine (CID 160849656) is 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine.
What is the SMILES notation for 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine?
The canonical SMILES for 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine is CCNCC(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine?
The InChIKey is GJNIDJCOQONNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-15-11-14(12-7-3-4-8-12)13-9-5-6-10-13/h3-10,12-15H,2,11H2,1H3.
What are the key properties of 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine?
2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine has a molecular weight of 201.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenta-2,4-dien-1-yl)-N-ethylethanamine is sourced from PubChem (CID 160849656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).