4,5-dimethoxycyclohexa-1,3-dien-1-amine

C8H13NO2 — CID 89074124

IUPAC4,5-dimethoxycyclohexa-1,3-dien-1-amine
SMILESCOC1=CC=C(N)CC1OC
InChIInChI=1S/C8H13NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-4,8H,5,9H2,1-2H3
InChIKeyVEEWIJRYUQTZMV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.78
Rot. Bonds2

About 4,5-dimethoxycyclohexa-1,3-dien-1-amine

4,5-dimethoxycyclohexa-1,3-dien-1-amine (PubChem CID 89074124) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4,5-dimethoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4,5-dimethoxycyclohexa-1,3-dien-1-amine
PubChem CID89074124
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4,5-dimethoxycyclohexa-1,3-dien-1-amine
SMILESCOC1=CC=C(N)CC1OC
InChIInChI=1S/C8H13NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-4,8H,5,9H2,1-2H3
InChIKeyVEEWIJRYUQTZMV-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 4,5-dimethoxycyclohexa-1,3-dien-1-amine (CID 89074124) is 4,5-dimethoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4,5-dimethoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4,5-dimethoxycyclohexa-1,3-dien-1-amine is COC1=CC=C(N)CC1OC.
What is the InChIKey of 4,5-dimethoxycyclohexa-1,3-dien-1-amine?
The InChIKey is VEEWIJRYUQTZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-4,8H,5,9H2,1-2H3.
What are the key properties of 4,5-dimethoxycyclohexa-1,3-dien-1-amine?
4,5-dimethoxycyclohexa-1,3-dien-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89074124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).