cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium

C22H44N3P — CID 159949465

IUPACcyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium
SMILESCCCCCCCC[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.N#CN=C=[N-]
InChIInChI=1S/C20H44P.C2N3/c1-11-12-13-14-15-16-17-21(18(2,3)4,19(5,6)7)20(8,9)10;3-1-5-2-4/h11-17H2,1-10H3;/q+1;-1
InChIKeyOBXMZSCEBWWZCF-UHFFFAOYSA-N
MW381.59 g/mol
LogP7.97
Rot. Bonds7

About cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium

cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium (PubChem CID 159949465) has the molecular formula C22H44N3P and a molecular weight of 381.59 g/mol. Its IUPAC name is cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium.

Molecular Properties

Compound Namecyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium
PubChem CID159949465
Molecular FormulaC22H44N3P
Molecular Weight381.59 g/mol
Exact Mass381.33
IUPAC Namecyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium
SMILESCCCCCCCC[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.N#CN=C=[N-]
InChIInChI=1S/C20H44P.C2N3/c1-11-12-13-14-15-16-17-21(18(2,3)4,19(5,6)7)20(8,9)10;3-1-5-2-4/h11-17H2,1-10H3;/q+1;-1
InChIKeyOBXMZSCEBWWZCF-UHFFFAOYSA-N
XLogP7.97
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tritert-butyl(octyl)phosphanium
CID 87254234
cyanamide;trimethyl(octyl)phosphanium
CID 87573111
1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide
CID 166162243
cyanoiminomethylideneazanide;1-heptyl-3-methylimidazol-3-ium;1-methyl-3-octylimidazol-1-ium
CID 157240334
6-hexyltridecanenitrile
CID 129015600
cyanamide;tributyl(octyl)phosphanium
CID 87573040
undecanenitrile
CID 16722
octadecanenitrile
CID 12532
trimethyl(tritriacontyl)phosphanium
CID 118223234
trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401
trimethyl(tritetracontyl)phosphanium
CID 157055900

Frequently Asked Questions

What is the IUPAC name of cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium?
The IUPAC name of cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium (CID 159949465) is cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium.
What is the SMILES notation for cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium?
The canonical SMILES for cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium is CCCCCCCC[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.N#CN=C=[N-].
What is the InChIKey of cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium?
The InChIKey is OBXMZSCEBWWZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44P.C2N3/c1-11-12-13-14-15-16-17-21(18(2,3)4,19(5,6)7)20(8,9)10;3-1-5-2-4/h11-17H2,1-10H3;/q+1;-1.
What are the key properties of cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium?
cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium has a molecular weight of 381.59 g/mol, XLogP of 7.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium is sourced from PubChem (CID 159949465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).