4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine

C8H11N3 — CID 18183674

IUPAC4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine
SMILESCC1=C(C)C(N)C=CC1=[N+]=[N-]
InChIInChI=1S/C8H11N3/c1-5-6(2)8(11-10)4-3-7(5)9/h3-4,7H,9H2,1-2H3
InChIKeyLFKNIKQDTFBSSE-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.89
Rot. Bonds

About 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine

4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine (PubChem CID 18183674) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine
PubChem CID18183674
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine
SMILESCC1=C(C)C(N)C=CC1=[N+]=[N-]
InChIInChI=1S/C8H11N3/c1-5-6(2)8(11-10)4-3-7(5)9/h3-4,7H,9H2,1-2H3
InChIKeyLFKNIKQDTFBSSE-UHFFFAOYSA-N
XLogP0.89
TPSA62.42 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
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'}

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Related Compounds

Aminodiazobenzene
CID 87840810
N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine
CID 18952715
4-Diazo-2,3-diethylcyclohexa-2,5-dien-1-amine
CID 20209398
ZINC;4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine;dichloride
CID 20225622
4-Diazo-2-ethylcyclohexa-2,5-dien-1-amine
CID 21829809
4-Diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine;sulfuric acid
CID 23456765
2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
CID 88976714
1-Cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine
CID 91298887
6-Imino-4-methylcyclohexa-2,4-dien-1-amine
CID 124142706
1-(3,4-Diiminocyclohexa-1,5-dien-1-yl)ethanamine
CID 142433052
ethane;(6Z)-6-hydrazinylidene-3,4-dimethylcyclohexa-2,4-dien-1-amine
CID 143630973
Ethane;6-imino-4-methylcyclohexa-2,4-dien-1-amine
CID 144936352

Frequently Asked Questions

What is the IUPAC name of 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine?
The IUPAC name of 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine (CID 18183674) is 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine is CC1=C(C)C(N)C=CC1=[N+]=[N-].
What is the InChIKey of 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine?
The InChIKey is LFKNIKQDTFBSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-5-6(2)8(11-10)4-3-7(5)9/h3-4,7H,9H2,1-2H3.
What are the key properties of 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine?
4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine has a molecular weight of 149.20 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 18183674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).