cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium

C16H27N5 — CID 140581086

IUPACcyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium
SMILESCCCCCCCCCCn1cc[n+](C)c1.N#CN=C=[N-]
InChIInChI=1S/C14H27N2.C2N3/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1-5-2-4/h12-14H,3-11H2,1-2H3;/q+1;-1
InChIKeyYVOCCIVJIZSVBF-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.66
Rot. Bonds9

About cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium

cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium (PubChem CID 140581086) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium.

Molecular Properties

Compound Namecyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium
PubChem CID140581086
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Namecyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium
SMILESCCCCCCCCCCn1cc[n+](C)c1.N#CN=C=[N-]
InChIInChI=1S/C14H27N2.C2N3/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1-5-2-4/h12-14H,3-11H2,1-2H3;/q+1;-1
InChIKeyYVOCCIVJIZSVBF-UHFFFAOYSA-N
XLogP3.66
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

cyanoiminomethylideneazanide;1-heptyl-3-methylimidazol-3-ium;1-methyl-3-octylimidazol-1-ium
CID 157240334
cyanoiminomethylideneazanide;1,3-didodecylimidazol-1-ium
CID 139144501
1-decyl-3-methylimidazol-3-ium thiocyanate
CID 23105183
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
cyanocyanamide;1-dodecyl-3-methylimidazol-3-ium
CID 87338806
octakis(1-decyl-3-methylimidazol-3-ium);tetrakis(dioxidoboranylformonitrile)
CID 173015539
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123

Frequently Asked Questions

What is the IUPAC name of cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium?
The IUPAC name of cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium (CID 140581086) is cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium.
What is the SMILES notation for cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium?
The canonical SMILES for cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium is CCCCCCCCCCn1cc[n+](C)c1.N#CN=C=[N-].
What is the InChIKey of cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium?
The InChIKey is YVOCCIVJIZSVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2.C2N3/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1-5-2-4/h12-14H,3-11H2,1-2H3;/q+1;-1.
What are the key properties of cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium?
cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium has a molecular weight of 289.43 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium is sourced from PubChem (CID 140581086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).