3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane

C18H34N4 — CID 134882121

IUPAC3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane
SMILESCC(C)(C)C(=[N+]=[N-])C(C)(C)CCC(C)(C)C(=[N+]=[N-])C(C)(C)C
InChIInChI=1S/C18H34N4/c1-15(2,3)13(21-19)17(7,8)11-12-18(9,10)14(22-20)16(4,5)6/h11-12H2,1-10H3
InChIKeyDBLJQSLIKFBSFC-UHFFFAOYSA-N
MW306.50 g/mol
LogP5.25
Rot. Bonds5

About 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane

3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane (PubChem CID 134882121) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane.

Molecular Properties

Compound Name3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane
PubChem CID134882121
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane
SMILESCC(C)(C)C(=[N+]=[N-])C(C)(C)CCC(C)(C)C(=[N+]=[N-])C(C)(C)C
InChIInChI=1S/C18H34N4/c1-15(2,3)13(21-19)17(7,8)11-12-18(9,10)14(22-20)16(4,5)6/h11-12H2,1-10H3
InChIKeyDBLJQSLIKFBSFC-UHFFFAOYSA-N
XLogP5.25
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.50
LogP ≤ 55.25
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

2-Diazo-1,1,3,3-tetramethylcycloheptane
CID 13212155
(E)-[(1E,6E)-1-tert-butyl-1,6-dihydrazinylidene-2,2,5,5,7,7-hexamethyloctylidene]hydrazine
CID 10519046
11-Diazo-2,2-dimethylhenicosane
CID 152070007
(E)-N-[(E)-1-cycloheptylethylideneamino]-3,3-dimethylheptan-2-imine
CID 155055950
2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane
CID 172953973
8-Diazo-9-hexylhexadecane
CID 175217887
9-Diazo-10-hexyloctadecane
CID 175369961
2,2,4,4,7,7,9,9-Octamethyldecane-3,8-diimine
CID 10779161
4,4-Dimethyl-3,5-bis[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
CID 177453155
(E)-[(1E,6Z)-1-tert-butyl-1,6-dihydrazinylidene-2,2,5,5,7,7-hexamethyloctylidene]hydrazine
CID 177566580

Frequently Asked Questions

What is the IUPAC name of 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane?
The IUPAC name of 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane (CID 134882121) is 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane.
What is the SMILES notation for 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane?
The canonical SMILES for 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane is CC(C)(C)C(=[N+]=[N-])C(C)(C)CCC(C)(C)C(=[N+]=[N-])C(C)(C)C.
What is the InChIKey of 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane?
The InChIKey is DBLJQSLIKFBSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-15(2,3)13(21-19)17(7,8)11-12-18(9,10)14(22-20)16(4,5)6/h11-12H2,1-10H3.
What are the key properties of 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane?
3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane has a molecular weight of 306.50 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-didiazo-2,2,4,4,7,7,9,9-octamethyldecane is sourced from PubChem (CID 134882121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).