[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile

C13H27N2O2P — CID 170850595

IUPAC[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile
SMILESCCCCCCCCOP(=O)(C#N)N(C)CCC
InChIInChI=1S/C13H27N2O2P/c1-4-6-7-8-9-10-12-17-18(16,13-14)15(3)11-5-2/h4-12H2,1-3H3
InChIKeyWMTIBSIKBLUVDP-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.38
Rot. Bonds11

About [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile

[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile (PubChem CID 170850595) has the molecular formula C13H27N2O2P and a molecular weight of 274.34 g/mol. Its IUPAC name is [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile.

Molecular Properties

Compound Name[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile
PubChem CID170850595
Molecular FormulaC13H27N2O2P
Molecular Weight274.34 g/mol
Exact Mass274.18
IUPAC Name[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile
SMILESCCCCCCCCOP(=O)(C#N)N(C)CCC
InChIInChI=1S/C13H27N2O2P/c1-4-6-7-8-9-10-12-17-18(16,13-14)15(3)11-5-2/h4-12H2,1-3H3
InChIKeyWMTIBSIKBLUVDP-UHFFFAOYSA-N
XLogP4.38
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.38
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
[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile
CID 86082433
[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile
CID 583930
[decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile
CID 170850854
2-(dimethylamino)ethyl ditetradecyl phosphate
CID 170237074
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
N,N-dimethylmethanamine;dodecyl dihydrogen phosphate
CID 175346485
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
potassium tris-decyl phosphate
CID 21118666

Frequently Asked Questions

What is the IUPAC name of [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile?
The IUPAC name of [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile (CID 170850595) is [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile.
What is the SMILES notation for [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile?
The canonical SMILES for [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile is CCCCCCCCOP(=O)(C#N)N(C)CCC.
What is the InChIKey of [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile?
The InChIKey is WMTIBSIKBLUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2O2P/c1-4-6-7-8-9-10-12-17-18(16,13-14)15(3)11-5-2/h4-12H2,1-3H3.
What are the key properties of [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile?
[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile has a molecular weight of 274.34 g/mol, XLogP of 4.38, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[methyl(propyl)amino]-octoxyphosphoryl]formonitrile is sourced from PubChem (CID 170850595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).