bis(4-methylhexyl)diazene

C14H30N2 — CID 91548761

IUPACbis(4-methylhexyl)diazene
SMILESCCC(C)CCC/N=N/CCCC(C)CC
InChIInChI=1S/C14H30N2/c1-5-13(3)9-7-11-15-16-12-8-10-14(4)6-2/h13-14H,5-12H2,1-4H3/b16-15+
InChIKeyCDTDCOIZLACHCE-FOCLMDBBSA-N
MW226.41 g/mol
LogP5.09
Rot. Bonds10

About bis(4-methylhexyl)diazene

bis(4-methylhexyl)diazene (PubChem CID 91548761) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is bis(4-methylhexyl)diazene.

Molecular Properties

Compound Namebis(4-methylhexyl)diazene
PubChem CID91548761
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Namebis(4-methylhexyl)diazene
SMILESCCC(C)CCC/N=N/CCCC(C)CC
InChIInChI=1S/C14H30N2/c1-5-13(3)9-7-11-15-16-12-8-10-14(4)6-2/h13-14H,5-12H2,1-4H3/b16-15+
InChIKeyCDTDCOIZLACHCE-FOCLMDBBSA-N
XLogP5.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,7R)-3,7-dimethylnonane
CID 42626759
3-methylheptane;nickel
CID 158967838
3-ethyl-7-methylnonane
CID 526426
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-ethyl-8-methyldecane
CID 57490930
3-methylheptane;octane
CID 144782281
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
3-methyldodecane
CID 28469
(3R,6S)-3,6-dimethyldecane
CID 170848353
calcium;hydride;3-methylheptane
CID 174879723

Frequently Asked Questions

What is the IUPAC name of bis(4-methylhexyl)diazene?
The IUPAC name of bis(4-methylhexyl)diazene (CID 91548761) is bis(4-methylhexyl)diazene.
What is the SMILES notation for bis(4-methylhexyl)diazene?
The canonical SMILES for bis(4-methylhexyl)diazene is CCC(C)CCC/N=N/CCCC(C)CC.
What is the InChIKey of bis(4-methylhexyl)diazene?
The InChIKey is CDTDCOIZLACHCE-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(3)9-7-11-15-16-12-8-10-14(4)6-2/h13-14H,5-12H2,1-4H3/b16-15+.
What are the key properties of bis(4-methylhexyl)diazene?
bis(4-methylhexyl)diazene has a molecular weight of 226.41 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylhexyl)diazene is sourced from PubChem (CID 91548761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).