2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine

C14H23N — CID 142096993

IUPAC2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C14H23N/c1-5-15(4)12-9-13-7-6-10-14(2,3)11-8-13/h6-8,10-11H,5,9,12H2,1-4H3
InChIKeyROBRMGHUPQFTBN-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.41
Rot. Bonds4

About 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine

2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine (PubChem CID 142096993) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine
PubChem CID142096993
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C14H23N/c1-5-15(4)12-9-13-7-6-10-14(2,3)11-8-13/h6-8,10-11H,5,9,12H2,1-4H3
InChIKeyROBRMGHUPQFTBN-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine 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-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine (CID 142096993) is 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine is CCN(C)CCC1=CC=CC(C)(C)C=C1.
What is the InChIKey of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine?
The InChIKey is ROBRMGHUPQFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-15(4)12-9-13-7-6-10-14(2,3)11-8-13/h6-8,10-11H,5,9,12H2,1-4H3.
What are the key properties of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine?
2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 142096993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).