6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine

C13H18N2O2 — CID 163638681

IUPAC6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine
SMILESCOC1=CCC(OC2=CC=C(N)CC2N)C=C1
InChIInChI=1S/C13H18N2O2/c1-16-10-3-5-11(6-4-10)17-13-7-2-9(14)8-12(13)15/h2-5,7,11-12H,6,8,14-15H2,1H3
InChIKeyICJSYLVOZRJONG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.32
Rot. Bonds3

About 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine

6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine (PubChem CID 163638681) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine
PubChem CID163638681
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine
SMILESCOC1=CCC(OC2=CC=C(N)CC2N)C=C1
InChIInChI=1S/C13H18N2O2/c1-16-10-3-5-11(6-4-10)17-13-7-2-9(14)8-12(13)15/h2-5,7,11-12H,6,8,14-15H2,1H3
InChIKeyICJSYLVOZRJONG-UHFFFAOYSA-N
XLogP1.32
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine 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-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine (CID 163638681) is 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine is COC1=CCC(OC2=CC=C(N)CC2N)C=C1.
What is the InChIKey of 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine?
The InChIKey is ICJSYLVOZRJONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-16-10-3-5-11(6-4-10)17-13-7-2-9(14)8-12(13)15/h2-5,7,11-12H,6,8,14-15H2,1H3.
What are the key properties of 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine?
6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine has a molecular weight of 234.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 163638681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).