[[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile

C10H21N2O2P — CID 583940

IUPAC[[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile
SMILESCCCOP(=O)(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C10H21N2O2P/c1-6-7-14-15(13,8-11)12(9(2)3)10(4)5/h9-10H,6-7H2,1-5H3
InChIKeyLBQIYLKLXSOIBT-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.21
Rot. Bonds6

About [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile

[[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile (PubChem CID 583940) has the molecular formula C10H21N2O2P and a molecular weight of 232.26 g/mol. Its IUPAC name is [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile.

Molecular Properties

Compound Name[[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile
PubChem CID583940
Molecular FormulaC10H21N2O2P
Molecular Weight232.26 g/mol
Exact Mass232.13
IUPAC Name[[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile
SMILESCCCOP(=O)(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C10H21N2O2P/c1-6-7-14-15(13,8-11)12(9(2)3)10(4)5/h9-10H,6-7H2,1-5H3
InChIKeyLBQIYLKLXSOIBT-UHFFFAOYSA-N
XLogP3.21
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile?
The IUPAC name of [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile (CID 583940) is [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile.
What is the SMILES notation for [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile?
The canonical SMILES for [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile is CCCOP(=O)(C#N)N(C(C)C)C(C)C.
What is the InChIKey of [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile?
The InChIKey is LBQIYLKLXSOIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O2P/c1-6-7-14-15(13,8-11)12(9(2)3)10(4)5/h9-10H,6-7H2,1-5H3.
What are the key properties of [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile?
[[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile has a molecular weight of 232.26 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[di(propan-2-yl)amino]-propoxyphosphoryl]formonitrile is sourced from PubChem (CID 583940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).