[decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile

C15H31N2O2P — CID 170850854

IUPAC[decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile
SMILESCCCCCCCCC(C)OP(=O)(C#N)N(C)CCC
InChIInChI=1S/C15H31N2O2P/c1-5-7-8-9-10-11-12-15(3)19-20(18,14-16)17(4)13-6-2/h15H,5-13H2,1-4H3
InChIKeyZEULCWJXSPLBOB-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.16
Rot. Bonds12

About [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile

[decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile (PubChem CID 170850854) has the molecular formula C15H31N2O2P and a molecular weight of 302.40 g/mol. Its IUPAC name is [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile.

Molecular Properties

Compound Name[decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile
PubChem CID170850854
Molecular FormulaC15H31N2O2P
Molecular Weight302.40 g/mol
Exact Mass302.21
IUPAC Name[decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile
SMILESCCCCCCCCC(C)OP(=O)(C#N)N(C)CCC
InChIInChI=1S/C15H31N2O2P/c1-5-7-8-9-10-11-12-15(3)19-20(18,14-16)17(4)13-6-2/h15H,5-13H2,1-4H3
InChIKeyZEULCWJXSPLBOB-UHFFFAOYSA-N
XLogP5.16
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile
CID 170850595
2-[ethyl(octan-2-yloxy)phosphoryl]oxyoctane
CID 170850980
nonadecan-2-yl phosphate
CID 21219886
2-[octan-2-yl(octan-2-yloxy)phosphoryl]oxyoctane
CID 88710365
dioctan-2-yl phosphate;iron(2+)
CID 157379729
dipotassium;tridecan-2-yl phosphate
CID 139671549
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
decan-2-yloxy(methyl)phosphinate
CID 170850603
[2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile
CID 170850706
octan-2-yloxy(propyl)phosphinic acid
CID 87194607
[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile
CID 583930
decan-2-yl fluoro hydrogen phosphate
CID 175171865

Frequently Asked Questions

What is the IUPAC name of [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile?
The IUPAC name of [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile (CID 170850854) is [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile.
What is the SMILES notation for [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile?
The canonical SMILES for [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile is CCCCCCCCC(C)OP(=O)(C#N)N(C)CCC.
What is the InChIKey of [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile?
The InChIKey is ZEULCWJXSPLBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2O2P/c1-5-7-8-9-10-11-12-15(3)19-20(18,14-16)17(4)13-6-2/h15H,5-13H2,1-4H3.
What are the key properties of [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile?
[decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile has a molecular weight of 302.40 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile is sourced from PubChem (CID 170850854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).