2,3-dimethoxycyclohexa-1,3-dien-1-amine

C8H13NO2 — CID 173240380

IUPAC2,3-dimethoxycyclohexa-1,3-dien-1-amine
SMILESCOC1=CCCC(N)=C1OC
InChIInChI=1S/C8H13NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h5H,3-4,9H2,1-2H3
InChIKeyAZORYCPFYVONKK-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.13
Rot. Bonds2

About 2,3-dimethoxycyclohexa-1,3-dien-1-amine

2,3-dimethoxycyclohexa-1,3-dien-1-amine (PubChem CID 173240380) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,3-dimethoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2,3-dimethoxycyclohexa-1,3-dien-1-amine
PubChem CID173240380
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2,3-dimethoxycyclohexa-1,3-dien-1-amine
SMILESCOC1=CCCC(N)=C1OC
InChIInChI=1S/C8H13NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h5H,3-4,9H2,1-2H3
InChIKeyAZORYCPFYVONKK-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-2-methoxycyclohexa-1,3-dien-1-amine
CID 130436235
2-Fluoro-3-methoxycyclohexa-1,3-dien-1-amine
CID 173111203
3,5-Dimethoxycyclohexa-1,3-dien-1-amine
CID 19736717
2,4-Dimethoxycyclohexa-1,3-dien-1-amine
CID 19874861
3-Methoxycyclohexa-1,3-dien-1-amine
CID 68172558
2-Methoxycyclohexa-1,3-dien-1-amine
CID 89035381
4,5-Dimethoxycyclohexa-1,3-dien-1-amine
CID 89074124
7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine
CID 134382903
3-Ethoxy-4-methoxycyclohexa-1,3-dien-1-amine
CID 144264104
2-(2-Methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine
CID 144761130
2,5-Dimethoxycyclohexa-1,3-dien-1-amine
CID 148666515
3-Methoxy-2-methylcyclohexa-1,3-dien-1-amine
CID 149241732

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 2,3-dimethoxycyclohexa-1,3-dien-1-amine (CID 173240380) is 2,3-dimethoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2,3-dimethoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2,3-dimethoxycyclohexa-1,3-dien-1-amine is COC1=CCCC(N)=C1OC.
What is the InChIKey of 2,3-dimethoxycyclohexa-1,3-dien-1-amine?
The InChIKey is AZORYCPFYVONKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h5H,3-4,9H2,1-2H3.
What are the key properties of 2,3-dimethoxycyclohexa-1,3-dien-1-amine?
2,3-dimethoxycyclohexa-1,3-dien-1-amine has a molecular weight of 155.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 173240380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).