3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile

C9H18ClN2O2P — CID 18626892

IUPAC3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile
SMILESCC(C)N(C(C)C)P(Cl)OOCCC#N
InChIInChI=1S/C9H18ClN2O2P/c1-8(2)12(9(3)4)15(10)14-13-7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyUIALAPALVNGIBM-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.43
Rot. Bonds7

About 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile

3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile (PubChem CID 18626892) has the molecular formula C9H18ClN2O2P and a molecular weight of 252.68 g/mol. Its IUPAC name is 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile.

Molecular Properties

Compound Name3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile
PubChem CID18626892
Molecular FormulaC9H18ClN2O2P
Molecular Weight252.68 g/mol
Exact Mass252.08
IUPAC Name3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile
SMILESCC(C)N(C(C)C)P(Cl)OOCCC#N
InChIInChI=1S/C9H18ClN2O2P/c1-8(2)12(9(3)4)15(10)14-13-7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyUIALAPALVNGIBM-UHFFFAOYSA-N
XLogP3.43
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-Cyanoethyl tetraisopropylphosphorodiamidite
CID 128153
2-Cyanoethyl N,N-diisopropylchlorophosphoramidite
CID 2734844
Bis(2-cyanoethyl) N,N-Diisopropylphosphoramidite
CID 3626483
2-Cyanoethyl Hydrogen Diisopropylphosphoramidite
CID 10751287
2-Cyanoethylmethyldiisopropylphosphoramidite
CID 11117914
3-[Di(propan-2-yl)amino]phosphanyloxypropanenitrile
CID 18624441
3-[[Di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile
CID 20732891
3-[Bis[di(propan-2-yl)amino]-dihydroxy-lambda5-phosphanyl]oxypropanenitrile
CID 90918052
[2-Cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite
CID 153336276
[[Chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite
CID 11844850
3-[2-Cyanoethoxy-[di(propan-2-yl)amino]phosphoryl]oxypropanenitrile
CID 11346724
[2-Cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite
CID 15545941

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile?
The IUPAC name of 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile (CID 18626892) is 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile.
What is the SMILES notation for 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile?
The canonical SMILES for 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile is CC(C)N(C(C)C)P(Cl)OOCCC#N.
What is the InChIKey of 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile?
The InChIKey is UIALAPALVNGIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN2O2P/c1-8(2)12(9(3)4)15(10)14-13-7-5-6-11/h8-9H,5,7H2,1-4H3.
What are the key properties of 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile?
3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile has a molecular weight of 252.68 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-[di(propan-2-yl)amino]phosphanyl]peroxypropanenitrile is sourced from PubChem (CID 18626892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).