(dibutylamino)-oxophosphanium

C8H19NOP+ — CID 173345581

IUPAC(dibutylamino)-oxophosphanium
SMILESCCCCN(CCCC)[PH+]=O
InChIInChI=1S/C8H18NOP/c1-3-5-7-9(11-10)8-6-4-2/h3-8H2,1-2H3/p+1
InChIKeyWYZGHIHINQRDGE-UHFFFAOYSA-O
MW176.22 g/mol
LogP2.83
Rot. Bonds7

About (dibutylamino)-oxophosphanium

(dibutylamino)-oxophosphanium (PubChem CID 173345581) has the molecular formula C8H19NOP+ and a molecular weight of 176.22 g/mol. Its IUPAC name is (dibutylamino)-oxophosphanium.

Molecular Properties

Compound Name(dibutylamino)-oxophosphanium
PubChem CID173345581
Molecular FormulaC8H19NOP+
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name(dibutylamino)-oxophosphanium
SMILESCCCCN(CCCC)[PH+]=O
InChIInChI=1S/C8H18NOP/c1-3-5-7-9(11-10)8-6-4-2/h3-8H2,1-2H3/p+1
InChIKeyWYZGHIHINQRDGE-UHFFFAOYSA-O
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-heptylacetamide
CID 91713167
N,N-dibutylpentadecan-1-amine
CID 4175227
N-butyl-N-methylpentan-1-amine
CID 54060013
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997
N,N-di(icosyl)acetamide
CID 57063838

Frequently Asked Questions

What is the IUPAC name of (dibutylamino)-oxophosphanium?
The IUPAC name of (dibutylamino)-oxophosphanium (CID 173345581) is (dibutylamino)-oxophosphanium.
What is the SMILES notation for (dibutylamino)-oxophosphanium?
The canonical SMILES for (dibutylamino)-oxophosphanium is CCCCN(CCCC)[PH+]=O.
What is the InChIKey of (dibutylamino)-oxophosphanium?
The InChIKey is WYZGHIHINQRDGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18NOP/c1-3-5-7-9(11-10)8-6-4-2/h3-8H2,1-2H3/p+1.
What are the key properties of (dibutylamino)-oxophosphanium?
(dibutylamino)-oxophosphanium has a molecular weight of 176.22 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (dibutylamino)-oxophosphanium is sourced from PubChem (CID 173345581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).