cyanocyanamide;dodecyl(triethyl)phosphanium

C20H41N3P+ — CID 87573308

IUPACcyanocyanamide;dodecyl(triethyl)phosphanium
SMILESCCCCCCCCCCCC[P+](CC)(CC)CC.N#CNC#N
InChIInChI=1S/C18H40P.C2HN3/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;3-1-5-2-4/h5-18H2,1-4H3;5H/q+1;
InChIKeyDQLHLLOTWLSMMY-UHFFFAOYSA-N
MW354.54 g/mol
LogP6.52
Rot. Bonds14

About cyanocyanamide;dodecyl(triethyl)phosphanium

cyanocyanamide;dodecyl(triethyl)phosphanium (PubChem CID 87573308) has the molecular formula C20H41N3P+ and a molecular weight of 354.54 g/mol. Its IUPAC name is cyanocyanamide;dodecyl(triethyl)phosphanium.

Molecular Properties

Compound Namecyanocyanamide;dodecyl(triethyl)phosphanium
PubChem CID87573308
Molecular FormulaC20H41N3P+
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Namecyanocyanamide;dodecyl(triethyl)phosphanium
SMILESCCCCCCCCCCCC[P+](CC)(CC)CC.N#CNC#N
InChIInChI=1S/C18H40P.C2HN3/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;3-1-5-2-4/h5-18H2,1-4H3;5H/q+1;
InChIKeyDQLHLLOTWLSMMY-UHFFFAOYSA-N
XLogP6.52
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 56.52
H-Bond Donors ≤ 51
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': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

triethyl(octyl)phosphanium
CID 18769208
butyl-diethyl-hexylphosphanium
CID 87509146
butyl-ethyl-dioctylphosphanium
CID 87508514
tributyl(methyl)phosphanium;tributyl(octyl)phosphanium;triethyl(octyl)phosphanium
CID 175008911
didecyl(diethyl)phosphanium
CID 87777324
diethyl(dihexyl)phosphanium
CID 22000710
cyanamide;tributyl(octyl)phosphanium
CID 87573040
diethyl-di(tetradecyl)phosphanium bromide
CID 87778577
tributyl(tridecyl)phosphanium
CID 87194469
butyl(triheptyl)phosphanium
CID 87777247
tributyl(icosyl)phosphanium
CID 23086982
ethyl-hexyl-dipropylphosphanium
CID 87508300

Frequently Asked Questions

What is the IUPAC name of cyanocyanamide;dodecyl(triethyl)phosphanium?
The IUPAC name of cyanocyanamide;dodecyl(triethyl)phosphanium (CID 87573308) is cyanocyanamide;dodecyl(triethyl)phosphanium.
What is the SMILES notation for cyanocyanamide;dodecyl(triethyl)phosphanium?
The canonical SMILES for cyanocyanamide;dodecyl(triethyl)phosphanium is CCCCCCCCCCCC[P+](CC)(CC)CC.N#CNC#N.
What is the InChIKey of cyanocyanamide;dodecyl(triethyl)phosphanium?
The InChIKey is DQLHLLOTWLSMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40P.C2HN3/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;3-1-5-2-4/h5-18H2,1-4H3;5H/q+1;.
What are the key properties of cyanocyanamide;dodecyl(triethyl)phosphanium?
cyanocyanamide;dodecyl(triethyl)phosphanium has a molecular weight of 354.54 g/mol, XLogP of 6.52, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanocyanamide;dodecyl(triethyl)phosphanium is sourced from PubChem (CID 87573308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).