1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine

C10H17NO — CID 70059595

IUPAC1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine
SMILESCCOC1(C(C)N)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-3-12-10(9(2)11)7-5-4-6-8-10/h4-7,9H,3,8,11H2,1-2H3
InChIKeyOBYFXUVABDFCLL-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds3

About 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine

1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine (PubChem CID 70059595) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine
PubChem CID70059595
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine
SMILESCCOC1(C(C)N)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-3-12-10(9(2)11)7-5-4-6-8-10/h4-7,9H,3,8,11H2,1-2H3
InChIKeyOBYFXUVABDFCLL-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 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine 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 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine?
The IUPAC name of 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine (CID 70059595) is 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine is CCOC1(C(C)N)C=CC=CC1.
What is the InChIKey of 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine?
The InChIKey is OBYFXUVABDFCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-12-10(9(2)11)7-5-4-6-8-10/h4-7,9H,3,8,11H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine?
1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine 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 1-(1-ethoxycyclohexa-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 70059595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).