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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Related Compounds

Benzo[7]annulen-7-amine
CID 19915662
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5E)-5-fluoro-2-methylhepta-1,3,5-trien-3-amine
CID 129169854
(1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine
CID 147059226
(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine
CID 166837179
(3Z)-3-ethylidene-5-fluoro-4-methylidenecyclohexa-1,5-dien-1-amine
CID 177202388
[4-(Cyanoamino)-3,6-dimethylidenecyclohexa-1,4-dien-1-yl]cyanamide
CID 53928350
Benzocyclohepten-8-ylamine
CID 129673098
Dimethyl aminofulvene
CID 129695581
(3E,5E)-5-fluoro-2-methylhepta-1,3,5-trien-4-amine
CID 144429821
(3E)-5-(4-fluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-triene-2,3-diamine
CID 168913934
4,6-Dimethyl-2-methylene-1,2-dihydropyridine
CID 12931743

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).