butyl(phenyl)phosphane;cyanamide

C12H19N4P — CID 139534681

IUPACbutyl(phenyl)phosphane;cyanamide
SMILESCCCCPc1ccccc1.N#CN.N#CN
InChIInChI=1S/C10H15P.2CH2N2/c1-2-3-9-11-10-7-5-4-6-8-10;2*2-1-3/h4-8,11H,2-3,9H2,1H3;2*2H2
InChIKeyIRKKWTOPSYULKF-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.64
Rot. Bonds4

About butyl(phenyl)phosphane;cyanamide

butyl(phenyl)phosphane;cyanamide (PubChem CID 139534681) has the molecular formula C12H19N4P and a molecular weight of 250.29 g/mol. Its IUPAC name is butyl(phenyl)phosphane;cyanamide.

Molecular Properties

Compound Namebutyl(phenyl)phosphane;cyanamide
PubChem CID139534681
Molecular FormulaC12H19N4P
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Namebutyl(phenyl)phosphane;cyanamide
SMILESCCCCPc1ccccc1.N#CN.N#CN
InChIInChI=1S/C10H15P.2CH2N2/c1-2-3-9-11-10-7-5-4-6-8-10;2*2-1-3/h4-8,11H,2-3,9H2,1H3;2*2H2
InChIKeyIRKKWTOPSYULKF-UHFFFAOYSA-N
XLogP1.64
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.64
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

hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide
CID 18446087
diphenylphosphane;octane
CID 19797985
1,1'-biphenyl;pentanenitrile
CID 161141924
pentane;2-phenylacetonitrile
CID 175401788
(4-methylphenyl)-octylphosphane
CID 21096786
pentanenitrile;toluene
CID 158377987
dodecane;phenol
CID 157210063
ethyl-(2-phenylphosphanylethyl)-sulfanylidenephosphanium
CID 23566001
ethyl-oxo-(2-phenylphosphanylethyl)phosphanium
CID 23566003

Frequently Asked Questions

What is the IUPAC name of butyl(phenyl)phosphane;cyanamide?
The IUPAC name of butyl(phenyl)phosphane;cyanamide (CID 139534681) is butyl(phenyl)phosphane;cyanamide.
What is the SMILES notation for butyl(phenyl)phosphane;cyanamide?
The canonical SMILES for butyl(phenyl)phosphane;cyanamide is CCCCPc1ccccc1.N#CN.N#CN.
What is the InChIKey of butyl(phenyl)phosphane;cyanamide?
The InChIKey is IRKKWTOPSYULKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15P.2CH2N2/c1-2-3-9-11-10-7-5-4-6-8-10;2*2-1-3/h4-8,11H,2-3,9H2,1H3;2*2H2.
What are the key properties of butyl(phenyl)phosphane;cyanamide?
butyl(phenyl)phosphane;cyanamide has a molecular weight of 250.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(phenyl)phosphane;cyanamide is sourced from PubChem (CID 139534681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).