ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane

C21H48N2 — CID 162254065

IUPACditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)/N=N/C(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C
InChIInChI=1S/C8H18N2.C8H18.C5H12/c1-7(2,3)9-10-8(4,5)6;1-7(2,3)8(4,5)6;1-5(2,3)4/h1-6H3;1-6H3;1-4H3/b10-9+;;
InChIKeyZYJDDXRQNFRFTG-TTWKNDKESA-N
MW328.63 g/mol
LogP8.17
Rot. Bonds

About ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane

ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane (PubChem CID 162254065) has the molecular formula C21H48N2 and a molecular weight of 328.63 g/mol. Its IUPAC name is ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Nameditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane
PubChem CID162254065
Molecular FormulaC21H48N2
Molecular Weight328.63 g/mol
Exact Mass328.38
IUPAC Nameditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)/N=N/C(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C
InChIInChI=1S/C8H18N2.C8H18.C5H12/c1-7(2,3)9-10-8(4,5)6;1-7(2,3)8(4,5)6;1-5(2,3)4/h1-6H3;1-6H3;1-4H3/b10-9+;;
InChIKeyZYJDDXRQNFRFTG-TTWKNDKESA-N
XLogP8.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 58.17
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

ditert-butyldiazene;dihydrochloride
CID 172805656
tert-butyl-[2-[2-(tert-butyldiazenyl)propan-2-ylsulfanyl]propan-2-yl]diazene
CID 21429724
bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)
CID 160526699
CID 102504769
CID 102504769
2,2,3,3-tetramethylbutane;vanadium
CID 158970328
tert-butyl(2-hydroperoxypropan-2-yl)diazene
CID 13429215
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
tert-butyl(ethenyl)diazene
CID 22726336
tert-butyl(2-isothiocyanatopropan-2-yl)diazene
CID 21431205
tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene
CID 11309685
2-(tert-butyldiazenyl)pentan-2-ol
CID 21412753
N-tert-butyliminoformamide
CID 91504950

Frequently Asked Questions

What is the IUPAC name of ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane?
The IUPAC name of ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane (CID 162254065) is ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane.
What is the SMILES notation for ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane?
The canonical SMILES for ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane is CC(C)(C)/N=N/C(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.
What is the InChIKey of ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane?
The InChIKey is ZYJDDXRQNFRFTG-TTWKNDKESA-N. The full InChI is InChI=1S/C8H18N2.C8H18.C5H12/c1-7(2,3)9-10-8(4,5)6;1-7(2,3)8(4,5)6;1-5(2,3)4/h1-6H3;1-6H3;1-4H3/b10-9+;;.
What are the key properties of ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane?
ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane has a molecular weight of 328.63 g/mol, XLogP of 8.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 162254065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).