3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile

C29H37N2O2PSi — CID 10006330

IUPAC3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(OCCC#N)OCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37N2O2PSi/c1-25(2)31(26(3)4)34(32-22-14-21-30)33-23-24-35(27-15-8-5-9-16-27,28-17-10-6-11-18-28)29-19-12-7-13-20-29/h5-13,15-20,25-26H,14,22-24H2,1-4H3
InChIKeyLHMREYMTDIUGIV-UHFFFAOYSA-N
MW504.69 g/mol
LogP5.45
Rot. Bonds13

About 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile

3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile (PubChem CID 10006330) has the molecular formula C29H37N2O2PSi and a molecular weight of 504.69 g/mol. Its IUPAC name is 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile
PubChem CID10006330
Molecular FormulaC29H37N2O2PSi
Molecular Weight504.69 g/mol
Exact Mass504.24
IUPAC Name3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(OCCC#N)OCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37N2O2PSi/c1-25(2)31(26(3)4)34(32-22-14-21-30)33-23-24-35(27-15-8-5-9-16-27,28-17-10-6-11-18-28)29-19-12-7-13-20-29/h5-13,15-20,25-26H,14,22-24H2,1-4H3
InChIKeyLHMREYMTDIUGIV-UHFFFAOYSA-N
XLogP5.45
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.69
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
3-[[di(propan-2-yl)amino]-prop-2-ynoxyphosphanyl]oxypropanenitrile
CID 166792181
3-[[di(propan-2-yl)amino]-(2-ethylsulfonylethoxy)phosphanyl]oxypropanenitrile
CID 76660393
3-[2-deuterioethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88572187
3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 10303642
9H-fluoren-9-ylmethyl 2-amino-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoate
CID 54069031
3-[2-(10,16-dibenzyl-1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 101245096
2-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanoyl]-N-methylbenzamide
CID 158653354
3-[[di(propan-2-yl)amino]-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxyhexoxy]phosphanyl]oxypropanenitrile
CID 15451528
3-[[di(propan-2-yl)amino]-[2-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyldisulfanyl]ethoxy]phosphanyl]oxypropanenitrile
CID 166138054
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropanenitrile;methylhydrazine
CID 170783738

Frequently Asked Questions

What is the IUPAC name of 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile?
The IUPAC name of 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile (CID 10006330) is 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile is CC(C)N(C(C)C)P(OCCC#N)OCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile?
The InChIKey is LHMREYMTDIUGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N2O2PSi/c1-25(2)31(26(3)4)34(32-22-14-21-30)33-23-24-35(27-15-8-5-9-16-27,28-17-10-6-11-18-28)29-19-12-7-13-20-29/h5-13,15-20,25-26H,14,22-24H2,1-4H3.
What are the key properties of 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile?
3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile has a molecular weight of 504.69 g/mol, XLogP of 5.45, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile is sourced from PubChem (CID 10006330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).