N-butyl-N-diphenylphosphorylbutan-1-amine

C20H28NOP — CID 10664129

IUPACN-butyl-N-diphenylphosphorylbutan-1-amine
SMILESCCCCN(CCCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28NOP/c1-3-5-17-21(18-6-4-2)23(22,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3
InChIKeyLVYURLOFBFOZIH-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.82
Rot. Bonds9

About N-butyl-N-diphenylphosphorylbutan-1-amine

N-butyl-N-diphenylphosphorylbutan-1-amine (PubChem CID 10664129) has the molecular formula C20H28NOP and a molecular weight of 329.42 g/mol. Its IUPAC name is N-butyl-N-diphenylphosphorylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-diphenylphosphorylbutan-1-amine
PubChem CID10664129
Molecular FormulaC20H28NOP
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-butyl-N-diphenylphosphorylbutan-1-amine
SMILESCCCCN(CCCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28NOP/c1-3-5-17-21(18-6-4-2)23(22,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3
InChIKeyLVYURLOFBFOZIH-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.82
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

2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
3-(Diphenylphosphino)-N,N-dimethyl-1-propanamine
CID 120481
1-(2-Diphenylphosphorylethyl)-4-methylpiperazine
CID 785565
3-(Diphenylphosphoryl)-N,N-dimethylpropan-1-amine
CID 120484
Phosphine sulfide, (3-(dimethylamino)propyl)diphenyl-
CID 120485
Phosphine oxide, dipiperidinophenyl-
CID 206930
Aziridin-1-yldiphenylphosphine oxide
CID 5082415
1-(2-Diphenylphosphorylethyl)piperidine
CID 1520897
N-butyl-N-[(diphenylphosphoryl)methyl]-1-butanamine
CID 2251614
[4-Isothiocyanatobutyl(phenyl)phosphoryl]benzene
CID 145983152
1-(Diphenylphosphoryl)piperidine
CID 305880
N,N-Dimethyl-P,P-diphenylphosphinic amide
CID 426131

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-diphenylphosphorylbutan-1-amine?
The IUPAC name of N-butyl-N-diphenylphosphorylbutan-1-amine (CID 10664129) is N-butyl-N-diphenylphosphorylbutan-1-amine.
What is the SMILES notation for N-butyl-N-diphenylphosphorylbutan-1-amine?
The canonical SMILES for N-butyl-N-diphenylphosphorylbutan-1-amine is CCCCN(CCCC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-N-diphenylphosphorylbutan-1-amine?
The InChIKey is LVYURLOFBFOZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NOP/c1-3-5-17-21(18-6-4-2)23(22,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3.
What are the key properties of N-butyl-N-diphenylphosphorylbutan-1-amine?
N-butyl-N-diphenylphosphorylbutan-1-amine has a molecular weight of 329.42 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-diphenylphosphorylbutan-1-amine is sourced from PubChem (CID 10664129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).