1,4-dimethylcyclohexa-3,5-diene-1,2-diamine

C8H14N2 — CID 53423794

IUPAC1,4-dimethylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(N)C(C)(N)C=C1
InChIInChI=1S/C8H14N2/c1-6-3-4-8(2,10)7(9)5-6/h3-5,7H,9-10H2,1-2H3
InChIKeyMQQTUHGYSZQRGF-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.55
Rot. Bonds

About 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine

1,4-dimethylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 53423794) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1,4-dimethylcyclohexa-3,5-diene-1,2-diamine
PubChem CID53423794
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,4-dimethylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(N)C(C)(N)C=C1
InChIInChI=1S/C8H14N2/c1-6-3-4-8(2,10)7(9)5-6/h3-5,7H,9-10H2,1-2H3
InChIKeyMQQTUHGYSZQRGF-UHFFFAOYSA-N
XLogP0.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine (CID 53423794) is 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine is CC1=CC(N)C(C)(N)C=C1.
What is the InChIKey of 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is MQQTUHGYSZQRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-3-4-8(2,10)7(9)5-6/h3-5,7H,9-10H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine?
1,4-dimethylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 138.21 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 53423794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).