2,5-dimethoxycyclohexa-1,5-dien-1-amine

C8H13NO2 — CID 89025909

IUPAC2,5-dimethoxycyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N)=C(OC)CC1
InChIInChI=1S/C8H13NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h5H,3-4,9H2,1-2H3
InChIKeyFCHKFVPNWJKLRY-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.13
Rot. Bonds2

About 2,5-dimethoxycyclohexa-1,5-dien-1-amine

2,5-dimethoxycyclohexa-1,5-dien-1-amine (PubChem CID 89025909) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,5-dimethoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,5-dimethoxycyclohexa-1,5-dien-1-amine
PubChem CID89025909
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2,5-dimethoxycyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N)=C(OC)CC1
InChIInChI=1S/C8H13NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h5H,3-4,9H2,1-2H3
InChIKeyFCHKFVPNWJKLRY-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,5-dimethoxycyclohexa-1,5-dien-1-amine (CID 89025909) is 2,5-dimethoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,5-dimethoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,5-dimethoxycyclohexa-1,5-dien-1-amine is COC1=CC(N)=C(OC)CC1.
What is the InChIKey of 2,5-dimethoxycyclohexa-1,5-dien-1-amine?
The InChIKey is FCHKFVPNWJKLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h5H,3-4,9H2,1-2H3.
What are the key properties of 2,5-dimethoxycyclohexa-1,5-dien-1-amine?
2,5-dimethoxycyclohexa-1,5-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 2,5-dimethoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89025909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).