3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine

C8H10N2 — CID 21040582

IUPAC3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine
SMILESC=c1cc(N)c(=C)cc1N
InChIInChI=1S/C8H10N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2,9-10H2
InChIKeyRMACFRZSRYMBDX-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.33
Rot. Bonds

About 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine

3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine (PubChem CID 21040582) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine.

Molecular Properties

Compound Name3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine
PubChem CID21040582
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine
SMILESC=c1cc(N)c(=C)cc1N
InChIInChI=1S/C8H10N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2,9-10H2
InChIKeyRMACFRZSRYMBDX-UHFFFAOYSA-N
XLogP-0.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine?
The IUPAC name of 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine (CID 21040582) is 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine.
What is the SMILES notation for 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine?
The canonical SMILES for 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine is C=c1cc(N)c(=C)cc1N.
What is the InChIKey of 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine?
The InChIKey is RMACFRZSRYMBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2,9-10H2.
What are the key properties of 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine?
3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine has a molecular weight of 134.18 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylidenecyclohexa-1,4-diene-1,4-diamine is sourced from PubChem (CID 21040582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).