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

C8H14N2O2 — CID 129303965

IUPAC2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine
SMILESCOC1=CC(N)=C(OC)CC1N
InChIInChI=1S/C8H14N2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3,5H,4,9-10H2,1-2H3
InChIKeyVPXZMWUFVDDIAG-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.06
Rot. Bonds2

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

2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine (PubChem CID 129303965) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine
PubChem CID129303965
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine
SMILESCOC1=CC(N)=C(OC)CC1N
InChIInChI=1S/C8H14N2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3,5H,4,9-10H2,1-2H3
InChIKeyVPXZMWUFVDDIAG-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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine (CID 129303965) is 2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine is COC1=CC(N)=C(OC)CC1N.
What is the InChIKey of 2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine?
The InChIKey is VPXZMWUFVDDIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3,5H,4,9-10H2,1-2H3.
What are the key properties of 2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine?
2,5-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 2,5-dimethoxycyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 129303965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).