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

C8H14N2 — CID 66921589

IUPAC1,2-dimethylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1C(N)=CC=CC1(C)N
InChIInChI=1S/C8H14N2/c1-6-7(9)4-3-5-8(6,2)10/h3-6H,9-10H2,1-2H3
InChIKeyNKQNQQGGEYFNDO-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.75
Rot. Bonds

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

1,2-dimethylcyclohexa-3,5-diene-1,3-diamine (PubChem CID 66921589) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1,2-dimethylcyclohexa-3,5-diene-1,3-diamine
PubChem CID66921589
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,2-dimethylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1C(N)=CC=CC1(C)N
InChIInChI=1S/C8H14N2/c1-6-7(9)4-3-5-8(6,2)10/h3-6H,9-10H2,1-2H3
InChIKeyNKQNQQGGEYFNDO-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine (CID 66921589) is 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine is CC1C(N)=CC=CC1(C)N.
What is the InChIKey of 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine?
The InChIKey is NKQNQQGGEYFNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-7(9)4-3-5-8(6,2)10/h3-6H,9-10H2,1-2H3.
What are the key properties of 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine?
1,2-dimethylcyclohexa-3,5-diene-1,3-diamine has a molecular weight of 138.21 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 66921589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).