diiminoazanium;hexadecane

C16H36N3+ — CID 175097111

IUPACdiiminoazanium;hexadecane
SMILESCCCCCCCCCCCCCCCC.N=[N+]=N
InChIInChI=1S/C16H34.H2N3/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-2/h3-16H2,1-2H3;1-2H/q;+1
InChIKeyYPYQFXQDVPUCDO-UHFFFAOYSA-N
MW270.48 g/mol
LogP6.60
Rot. Bonds13

About diiminoazanium;hexadecane

diiminoazanium;hexadecane (PubChem CID 175097111) has the molecular formula C16H36N3+ and a molecular weight of 270.48 g/mol. Its IUPAC name is diiminoazanium;hexadecane.

Molecular Properties

Compound Namediiminoazanium;hexadecane
PubChem CID175097111
Molecular FormulaC16H36N3+
Molecular Weight270.48 g/mol
Exact Mass270.29
IUPAC Namediiminoazanium;hexadecane
SMILESCCCCCCCCCCCCCCCC.N=[N+]=N
InChIInChI=1S/C16H34.H2N3/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-2/h3-16H2,1-2H3;1-2H/q;+1
InChIKeyYPYQFXQDVPUCDO-UHFFFAOYSA-N
XLogP6.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.48
LogP ≤ 56.60
H-Bond Donors ≤ 52
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'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

bis(diiminoazanium);hexane
CID 166794532
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of diiminoazanium;hexadecane?
The IUPAC name of diiminoazanium;hexadecane (CID 175097111) is diiminoazanium;hexadecane.
What is the SMILES notation for diiminoazanium;hexadecane?
The canonical SMILES for diiminoazanium;hexadecane is CCCCCCCCCCCCCCCC.N=[N+]=N.
What is the InChIKey of diiminoazanium;hexadecane?
The InChIKey is YPYQFXQDVPUCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.H2N3/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-2/h3-16H2,1-2H3;1-2H/q;+1.
What are the key properties of diiminoazanium;hexadecane?
diiminoazanium;hexadecane has a molecular weight of 270.48 g/mol, XLogP of 6.60, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiminoazanium;hexadecane is sourced from PubChem (CID 175097111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).