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

C8H14N2 — CID 173312248

IUPAC3,6-dimethylcyclohexa-1,4-diene-1,4-diamine
SMILESCC1C=C(N)C(C)C=C1N
InChIInChI=1S/C8H14N2/c1-5-3-8(10)6(2)4-7(5)9/h3-6H,9-10H2,1-2H3
InChIKeyJAJSHXDULNGYQC-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.96
Rot. Bonds

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

3,6-dimethylcyclohexa-1,4-diene-1,4-diamine (PubChem CID 173312248) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3,6-dimethylcyclohexa-1,4-diene-1,4-diamine.

Molecular Properties

Compound Name3,6-dimethylcyclohexa-1,4-diene-1,4-diamine
PubChem CID173312248
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3,6-dimethylcyclohexa-1,4-diene-1,4-diamine
SMILESCC1C=C(N)C(C)C=C1N
InChIInChI=1S/C8H14N2/c1-5-3-8(10)6(2)4-7(5)9/h3-6H,9-10H2,1-2H3
InChIKeyJAJSHXDULNGYQC-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylcyclohexa-1,4-diene-1,4-diamine?
The IUPAC name of 3,6-dimethylcyclohexa-1,4-diene-1,4-diamine (CID 173312248) is 3,6-dimethylcyclohexa-1,4-diene-1,4-diamine.
What is the SMILES notation for 3,6-dimethylcyclohexa-1,4-diene-1,4-diamine?
The canonical SMILES for 3,6-dimethylcyclohexa-1,4-diene-1,4-diamine is CC1C=C(N)C(C)C=C1N.
What is the InChIKey of 3,6-dimethylcyclohexa-1,4-diene-1,4-diamine?
The InChIKey is JAJSHXDULNGYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-3-8(10)6(2)4-7(5)9/h3-6H,9-10H2,1-2H3.
What are the key properties of 3,6-dimethylcyclohexa-1,4-diene-1,4-diamine?
3,6-dimethylcyclohexa-1,4-diene-1,4-diamine has a molecular weight of 138.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylcyclohexa-1,4-diene-1,4-diamine is sourced from PubChem (CID 173312248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).