N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine

C21H31N2P — CID 134927124

IUPACN'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)C(C)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H31N2P/c1-4-22-16-17-23(5-2)19(3)18-24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22H,4-5,16-18H2,1-3H3
InChIKeyFBWPVWNGZAOKMH-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.44
Rot. Bonds10

About N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine

N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine (PubChem CID 134927124) has the molecular formula C21H31N2P and a molecular weight of 342.47 g/mol. Its IUPAC name is N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine
PubChem CID134927124
Molecular FormulaC21H31N2P
Molecular Weight342.47 g/mol
Exact Mass342.22
IUPAC NameN'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)C(C)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H31N2P/c1-4-22-16-17-23(5-2)19(3)18-24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22H,4-5,16-18H2,1-3H3
InChIKeyFBWPVWNGZAOKMH-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(Diphenylphosphanyl)-3-methylbutan-2-amine
CID 15145880
[(2R)-2-amino-3-methylbutyl]diphenylphosphane
CID 72376444
3-(Ethylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905934
Triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide
CID 46905935
2-(Diphenylphosphanyl)-n,n-dimethylethanamine
CID 273266
N-isopropyl-1,1-diphenylphosphanamine
CID 12809835
N'-diphenylphosphanyl-N,N,N'-trimethylethane-1,2-diamine
CID 86152590
1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide
CID 6396044
1-(Diphenylphosphino)-N,N-dimethyl-2-propanamine
CID 10972379
(N,N-Diisopropylamino)diphenylphosphine
CID 11208392
(S)-2-[(Diphenylphosphino)methyl]pyrrolidine
CID 11272693
2-Diphenylphosphino methylpyrrolidine
CID 14641614

Frequently Asked Questions

What is the IUPAC name of N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine (CID 134927124) is N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine is CCNCCN(CC)C(C)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine?
The InChIKey is FBWPVWNGZAOKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N2P/c1-4-22-16-17-23(5-2)19(3)18-24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22H,4-5,16-18H2,1-3H3.
What are the key properties of N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine?
N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine has a molecular weight of 342.47 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 134927124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).