heptyldiazene

C7H16N2 — CID 89066541

IUPACheptyldiazene
SMILES[H]/N=N/CCCCCCC
InChIInChI=1S/C7H16N2/c1-2-3-4-5-6-7-9-8/h8H,2-7H2,1H3/b9-8+
InChIKeyNAJHBGWRWKOMAJ-CMDGGOBGSA-N
MW128.22 g/mol
LogP2.99
Rot. Bonds6

About heptyldiazene

heptyldiazene (PubChem CID 89066541) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is heptyldiazene.

Molecular Properties

Compound Nameheptyldiazene
PubChem CID89066541
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Nameheptyldiazene
SMILES[H]/N=N/CCCCCCC
InChIInChI=1S/C7H16N2/c1-2-3-4-5-6-7-9-8/h8H,2-7H2,1H3/b9-8+
InChIKeyNAJHBGWRWKOMAJ-CMDGGOBGSA-N
XLogP2.99
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
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

12-nitrosododecyldiazene
CID 122463248
[5-diazenyl-1-(4-diazenylbutyl)octyl]diazene
CID 174274162
formazan;nonane
CID 160965853
5-methylhex-5-enyldiazene
CID 123572307
triacontane
CID 12535
dictane
CID 19848341
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of heptyldiazene?
The IUPAC name of heptyldiazene (CID 89066541) is heptyldiazene.
What is the SMILES notation for heptyldiazene?
The canonical SMILES for heptyldiazene is [H]/N=N/CCCCCCC.
What is the InChIKey of heptyldiazene?
The InChIKey is NAJHBGWRWKOMAJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H16N2/c1-2-3-4-5-6-7-9-8/h8H,2-7H2,1H3/b9-8+.
What are the key properties of heptyldiazene?
heptyldiazene has a molecular weight of 128.22 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptyldiazene is sourced from PubChem (CID 89066541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).