1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene

C12H16N2 — CID 71341126

IUPAC1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene
SMILESCc1ccc(C(=[N+]=[N-])C(C)(C)C)cc1
InChIInChI=1S/C12H16N2/c1-9-5-7-10(8-6-9)11(14-13)12(2,3)4/h5-8H,1-4H3
InChIKeyNSNODQAJZTXBJN-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.06
Rot. Bonds1

About 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene

1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene (PubChem CID 71341126) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene
PubChem CID71341126
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene
SMILESCc1ccc(C(=[N+]=[N-])C(C)(C)C)cc1
InChIInChI=1S/C12H16N2/c1-9-5-7-10(8-6-9)11(14-13)12(2,3)4/h5-8H,1-4H3
InChIKeyNSNODQAJZTXBJN-UHFFFAOYSA-N
XLogP3.06
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-[diazo(phenyl)methyl]-4-methylbenzene
CID 12641746
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
1-(2,2-dimethyl-1-sulfinylpropyl)-4-methylbenzene
CID 11735933
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
alumane;4-methylbenzoic acid
CID 173230362
sodium 4-methylbenzoic acid
CID 164511663
methyl 2-diazo-3-(4-methylphenyl)-3-oxopropanoate
CID 136999505
1-tert-butyl-4-(1-diazoethyl)benzene
CID 102470296
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
acetic acid;4-methylbenzoic acid
CID 68925030
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119

Frequently Asked Questions

What is the IUPAC name of 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene?
The IUPAC name of 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene (CID 71341126) is 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene?
The canonical SMILES for 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene is Cc1ccc(C(=[N+]=[N-])C(C)(C)C)cc1.
What is the InChIKey of 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene?
The InChIKey is NSNODQAJZTXBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-5-7-10(8-6-9)11(14-13)12(2,3)4/h5-8H,1-4H3.
What are the key properties of 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene?
1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene has a molecular weight of 188.27 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene is sourced from PubChem (CID 71341126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).