6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine

C10H17NO — CID 67857196

IUPAC6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine
SMILESCCOC1(CC)C=CC=CC1N
InChIInChI=1S/C10H17NO/c1-3-10(12-4-2)8-6-5-7-9(10)11/h5-9H,3-4,11H2,1-2H3
InChIKeyVSNFODKUPOWJGF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds3

About 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine

6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine (PubChem CID 67857196) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine
PubChem CID67857196
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine
SMILESCCOC1(CC)C=CC=CC1N
InChIInChI=1S/C10H17NO/c1-3-10(12-4-2)8-6-5-7-9(10)11/h5-9H,3-4,11H2,1-2H3
InChIKeyVSNFODKUPOWJGF-UHFFFAOYSA-N
XLogP1.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-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 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine (CID 67857196) is 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine is CCOC1(CC)C=CC=CC1N.
What is the InChIKey of 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine?
The InChIKey is VSNFODKUPOWJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-10(12-4-2)8-6-5-7-9(10)11/h5-9H,3-4,11H2,1-2H3.
What are the key properties of 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine?
6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-6-ethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67857196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).