[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile

C9H19N2O2P — CID 86082433

IUPAC[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile
SMILESCCCCCOP(=O)(C#N)N(C)CC
InChIInChI=1S/C9H19N2O2P/c1-4-6-7-8-13-14(12,9-10)11(3)5-2/h4-8H2,1-3H3
InChIKeyYSZFQDGOWHDHFR-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.82
Rot. Bonds7

About [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile

[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile (PubChem CID 86082433) has the molecular formula C9H19N2O2P and a molecular weight of 218.24 g/mol. Its IUPAC name is [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile.

Molecular Properties

Compound Name[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile
PubChem CID86082433
Molecular FormulaC9H19N2O2P
Molecular Weight218.24 g/mol
Exact Mass218.12
IUPAC Name[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile
SMILESCCCCCOP(=O)(C#N)N(C)CC
InChIInChI=1S/C9H19N2O2P/c1-4-6-7-8-13-14(12,9-10)11(3)5-2/h4-8H2,1-3H3
InChIKeyYSZFQDGOWHDHFR-UHFFFAOYSA-N
XLogP2.82
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.82
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

[[ethyl(methyl)amino]-hexoxyphosphoryl]formonitrile
CID 86082434
[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile
CID 170850595
[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile
CID 583930
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octyl)phosphoryl]oxyoctane
CID 174639586
N,N-dimethylmethanamine;dodecyl dihydrogen phosphate
CID 175346485
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
methane;trioctyl phosphate
CID 174464331

Frequently Asked Questions

What is the IUPAC name of [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile?
The IUPAC name of [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile (CID 86082433) is [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile.
What is the SMILES notation for [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile?
The canonical SMILES for [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile is CCCCCOP(=O)(C#N)N(C)CC.
What is the InChIKey of [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile?
The InChIKey is YSZFQDGOWHDHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2P/c1-4-6-7-8-13-14(12,9-10)11(3)5-2/h4-8H2,1-3H3.
What are the key properties of [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile?
[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile has a molecular weight of 218.24 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile is sourced from PubChem (CID 86082433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).