1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine

C8H14N2O2 — CID 70022354

IUPAC1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine
SMILESCOC1=CC(N)(OC)C(N)C=C1
InChIInChI=1S/C8H14N2O2/c1-11-6-3-4-7(9)8(10,5-6)12-2/h3-5,7H,9-10H2,1-2H3
InChIKeyFJDMTVNXOLAHOZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.28
Rot. Bonds2

About 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine

1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine (PubChem CID 70022354) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine
PubChem CID70022354
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine
SMILESCOC1=CC(N)(OC)C(N)C=C1
InChIInChI=1S/C8H14N2O2/c1-11-6-3-4-7(9)8(10,5-6)12-2/h3-5,7H,9-10H2,1-2H3
InChIKeyFJDMTVNXOLAHOZ-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
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 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine (CID 70022354) is 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine is COC1=CC(N)(OC)C(N)C=C1.
What is the InChIKey of 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine?
The InChIKey is FJDMTVNXOLAHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-11-6-3-4-7(9)8(10,5-6)12-2/h3-5,7H,9-10H2,1-2H3.
What are the key properties of 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine?
1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine has a molecular weight of 170.21 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxycyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 70022354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).