(2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene

C10H16N2 — CID 163901863

IUPAC(2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene
SMILESC/N=N/CC1CC=C(C)C=C1C
InChIInChI=1S/C10H16N2/c1-8-4-5-10(7-12-11-3)9(2)6-8/h4,6,10H,5,7H2,1-3H3/b12-11+
InChIKeyQKNRSDDDWTWYIY-VAWYXSNFSA-N
MW164.25 g/mol
LogP2.98
Rot. Bonds2

About (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene

(2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene (PubChem CID 163901863) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene.

Molecular Properties

Compound Name(2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene
PubChem CID163901863
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene
SMILESC/N=N/CC1CC=C(C)C=C1C
InChIInChI=1S/C10H16N2/c1-8-4-5-10(7-12-11-3)9(2)6-8/h4,6,10H,5,7H2,1-3H3/b12-11+
InChIKeyQKNRSDDDWTWYIY-VAWYXSNFSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11412737
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CID 58272050
5-[(Aminodiazenyl)methyl]-2-methylcyclohexa-1,3-diene
CID 89634931
8-Methyl-1,4,4a,5-tetrahydrophthalazine
CID 91357672
1-[4-(Azidomethyl)cyclohexa-1,5-dien-1-yl]-4-methylcyclohexa-1,3-diene
CID 118227562
(5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene
CID 129161146
1-(Azidomethyl)-3-methylcyclohexa-1,3-diene
CID 130328622
(5E)-4-methylidene-5-(2-methylpropylidene)-3,6-dihydropyridazine
CID 134474663
methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene
CID 167036941
(6S)-8-azido-2,6-dimethyloct-2-ene
CID 14814944
(6E)-10-azido-2,6-dimethyldeca-2,6-diene
CID 101235797

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene?
The IUPAC name of (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene (CID 163901863) is (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene.
What is the SMILES notation for (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene?
The canonical SMILES for (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene is C/N=N/CC1CC=C(C)C=C1C.
What is the InChIKey of (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene?
The InChIKey is QKNRSDDDWTWYIY-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-4-5-10(7-12-11-3)9(2)6-8/h4,6,10H,5,7H2,1-3H3/b12-11+.
What are the key properties of (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene?
(2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene has a molecular weight of 164.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohexa-2,4-dien-1-yl)methyl-methyldiazene is sourced from PubChem (CID 163901863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).