cyanamide;trimethyl(octyl)phosphanium

C13H30N4P+ — CID 87573111

IUPACcyanamide;trimethyl(octyl)phosphanium
SMILESCCCCCCCC[P+](C)(C)C.N#CN.N#CN
InChIInChI=1S/C11H26P.2CH2N2/c1-5-6-7-8-9-10-11-12(2,3)4;2*2-1-3/h5-11H2,1-4H3;2*2H2/q+1;;
InChIKeyGYRASEJVJNYAIC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.11
Rot. Bonds7

About cyanamide;trimethyl(octyl)phosphanium

cyanamide;trimethyl(octyl)phosphanium (PubChem CID 87573111) has the molecular formula C13H30N4P+ and a molecular weight of 273.38 g/mol. Its IUPAC name is cyanamide;trimethyl(octyl)phosphanium.

Molecular Properties

Compound Namecyanamide;trimethyl(octyl)phosphanium
PubChem CID87573111
Molecular FormulaC13H30N4P+
Molecular Weight273.38 g/mol
Exact Mass273.22
IUPAC Namecyanamide;trimethyl(octyl)phosphanium
SMILESCCCCCCCC[P+](C)(C)C.N#CN.N#CN
InChIInChI=1S/C11H26P.2CH2N2/c1-5-6-7-8-9-10-11-12(2,3)4;2*2-1-3/h5-11H2,1-4H3;2*2H2/q+1;;
InChIKeyGYRASEJVJNYAIC-UHFFFAOYSA-N
XLogP3.11
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

trimethyl(tritriacontyl)phosphanium
CID 118223234
trimethyl(tritetracontyl)phosphanium
CID 157055900
heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
CID 158251637
dopentacontyl(trimethyl)phosphanium bromide
CID 118223258
hexyl(trimethyl)phosphanium bromide
CID 87777909
henicosyl(trimethyl)phosphanium chloride
CID 118223391
hexacosyl(trimethyl)phosphanium chloride
CID 118223241
cyanamide;tributyl(octyl)phosphanium
CID 87573040
trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401
decyl-dimethyl-nonylphosphanium
CID 87732648
methyl(trioctyl)phosphanium;phosphane;hydrobromide
CID 174695100

Frequently Asked Questions

What is the IUPAC name of cyanamide;trimethyl(octyl)phosphanium?
The IUPAC name of cyanamide;trimethyl(octyl)phosphanium (CID 87573111) is cyanamide;trimethyl(octyl)phosphanium.
What is the SMILES notation for cyanamide;trimethyl(octyl)phosphanium?
The canonical SMILES for cyanamide;trimethyl(octyl)phosphanium is CCCCCCCC[P+](C)(C)C.N#CN.N#CN.
What is the InChIKey of cyanamide;trimethyl(octyl)phosphanium?
The InChIKey is GYRASEJVJNYAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26P.2CH2N2/c1-5-6-7-8-9-10-11-12(2,3)4;2*2-1-3/h5-11H2,1-4H3;2*2H2/q+1;;.
What are the key properties of cyanamide;trimethyl(octyl)phosphanium?
cyanamide;trimethyl(octyl)phosphanium has a molecular weight of 273.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;trimethyl(octyl)phosphanium is sourced from PubChem (CID 87573111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).