2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine

C8H14N2O2 — CID 70613270

IUPAC2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine
SMILESCOC1=C(N)C=CC(N)(OC)C1
InChIInChI=1S/C8H14N2O2/c1-11-7-5-8(10,12-2)4-3-6(7)9/h3-4H,5,9-10H2,1-2H3
InChIKeyZAZXEIHWRWJPRS-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.06
Rot. Bonds2

About 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine

2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine (PubChem CID 70613270) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine
PubChem CID70613270
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine
SMILESCOC1=C(N)C=CC(N)(OC)C1
InChIInChI=1S/C8H14N2O2/c1-11-7-5-8(10,12-2)4-3-6(7)9/h3-4H,5,9-10H2,1-2H3
InChIKeyZAZXEIHWRWJPRS-UHFFFAOYSA-N
XLogP0.06
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine (CID 70613270) is 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine is COC1=C(N)C=CC(N)(OC)C1.
What is the InChIKey of 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine?
The InChIKey is ZAZXEIHWRWJPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-11-7-5-8(10,12-2)4-3-6(7)9/h3-4H,5,9-10H2,1-2H3.
What are the key properties of 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine?
2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine has a molecular weight of 170.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxycyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 70613270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).