cyclohexa-2,4-diene-1,1,3,5-tetramine

C6H12N4 — CID 170946565

IUPACcyclohexa-2,4-diene-1,1,3,5-tetramine
SMILESNC1=CC(N)(N)CC(N)=C1
InChIInChI=1S/C6H12N4/c7-4-1-5(8)3-6(9,10)2-4/h1-2H,3,7-10H2
InChIKeyJKXJHPHQDKSMGT-UHFFFAOYSA-N
MW140.19 g/mol
LogP-1.31
Rot. Bonds

About cyclohexa-2,4-diene-1,1,3,5-tetramine

cyclohexa-2,4-diene-1,1,3,5-tetramine (PubChem CID 170946565) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is cyclohexa-2,4-diene-1,1,3,5-tetramine.

Molecular Properties

Compound Namecyclohexa-2,4-diene-1,1,3,5-tetramine
PubChem CID170946565
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Namecyclohexa-2,4-diene-1,1,3,5-tetramine
SMILESNC1=CC(N)(N)CC(N)=C1
InChIInChI=1S/C6H12N4/c7-4-1-5(8)3-6(9,10)2-4/h1-2H,3,7-10H2
InChIKeyJKXJHPHQDKSMGT-UHFFFAOYSA-N
XLogP-1.31
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze cyclohexa-2,4-diene-1,1,3,5-tetramine 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 cyclohexa-2,4-diene-1,1,3,5-tetramine?
The IUPAC name of cyclohexa-2,4-diene-1,1,3,5-tetramine (CID 170946565) is cyclohexa-2,4-diene-1,1,3,5-tetramine.
What is the SMILES notation for cyclohexa-2,4-diene-1,1,3,5-tetramine?
The canonical SMILES for cyclohexa-2,4-diene-1,1,3,5-tetramine is NC1=CC(N)(N)CC(N)=C1.
What is the InChIKey of cyclohexa-2,4-diene-1,1,3,5-tetramine?
The InChIKey is JKXJHPHQDKSMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c7-4-1-5(8)3-6(9,10)2-4/h1-2H,3,7-10H2.
What are the key properties of cyclohexa-2,4-diene-1,1,3,5-tetramine?
cyclohexa-2,4-diene-1,1,3,5-tetramine has a molecular weight of 140.19 g/mol, XLogP of -1.31, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-diene-1,1,3,5-tetramine is sourced from PubChem (CID 170946565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).