3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile

C15H33N2O2P — CID 87379466

IUPAC3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(O)(OCCC#N)(C(C)C)C(C)C
InChIInChI=1S/C15H33N2O2P/c1-12(2)17(13(3)4)20(18,14(5)6,15(7)8)19-11-9-10-16/h12-15,18H,9,11H2,1-8H3
InChIKeyLSLRNQBUTPFGCL-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.14
Rot. Bonds8

About 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile

3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile (PubChem CID 87379466) has the molecular formula C15H33N2O2P and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile
PubChem CID87379466
Molecular FormulaC15H33N2O2P
Molecular Weight304.42 g/mol
Exact Mass304.23
IUPAC Name3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(O)(OCCC#N)(C(C)C)C(C)C
InChIInChI=1S/C15H33N2O2P/c1-12(2)17(13(3)4)20(18,14(5)6,15(7)8)19-11-9-10-16/h12-15,18H,9,11H2,1-8H3
InChIKeyLSLRNQBUTPFGCL-UHFFFAOYSA-N
XLogP4.14
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[tert-butyl-[di(propan-2-yl)amino]-dihydroxy-λ5-phosphanyl]propanenitrile
CID 87184817
2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium
CID 57227834
3-[[di(propan-2-yl)amino]-hex-5-ynyl-dihydroxy-λ5-phosphanyl]propanenitrile
CID 118250736
3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile
CID 146204554
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphoryl]oxypropanenitrile
CID 11346724
N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
CID 54224854
3-(1-bromoethoxy)propanenitrile
CID 151174182
3-[[di(propan-2-yl)amino]-dihydroxy-[4-(2-phenyl-1,3-dioxol-4-yl)butoxy]-λ5-phosphanyl]propanenitrile
CID 172860304
3-[[di(propan-2-yl)amino]-(2-ethylsulfonylethoxy)phosphanyl]oxypropanenitrile
CID 76660393
3-methoxypropanenitrile
CID 161061289
3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035

Frequently Asked Questions

What is the IUPAC name of 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile?
The IUPAC name of 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile (CID 87379466) is 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile is CC(C)N(C(C)C)P(O)(OCCC#N)(C(C)C)C(C)C.
What is the InChIKey of 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile?
The InChIKey is LSLRNQBUTPFGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N2O2P/c1-12(2)17(13(3)4)20(18,14(5)6,15(7)8)19-11-9-10-16/h12-15,18H,9,11H2,1-8H3.
What are the key properties of 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile?
3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile has a molecular weight of 304.42 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile is sourced from PubChem (CID 87379466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).