4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine

C8H11N3 — CID 18183675

IUPAC4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=CCC(=[N+]=[N-])C=C1
InChIInChI=1S/C8H11N3/c1-11(2)8-5-3-7(10-9)4-6-8/h3,5-6H,4H2,1-2H3
InChIKeyLAXPFHMCFLHGKK-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.06
Rot. Bonds1

About 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine

4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 18183675) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID18183675
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=CCC(=[N+]=[N-])C=C1
InChIInChI=1S/C8H11N3/c1-11(2)8-5-3-7(10-9)4-6-8/h3,5-6H,4H2,1-2H3
InChIKeyLAXPFHMCFLHGKK-UHFFFAOYSA-N
XLogP1.06
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine 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 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 18183675) is 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine is CN(C)C1=CCC(=[N+]=[N-])C=C1.
What is the InChIKey of 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is LAXPFHMCFLHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-11(2)8-5-3-7(10-9)4-6-8/h3,5-6H,4H2,1-2H3.
What are the key properties of 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 149.20 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 18183675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).