3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile

C9H19N2OP — CID 18624441

IUPAC3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile
SMILESCC(C)N(POCCC#N)C(C)C
InChIInChI=1S/C9H19N2OP/c1-8(2)11(9(3)4)13-12-7-5-6-10/h8-9,13H,5,7H2,1-4H3
InChIKeyYCWVUOFESLTPPC-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.54
Rot. Bonds6

About 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile

3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile (PubChem CID 18624441) has the molecular formula C9H19N2OP and a molecular weight of 202.24 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile
PubChem CID18624441
Molecular FormulaC9H19N2OP
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile
SMILESCC(C)N(POCCC#N)C(C)C
InChIInChI=1S/C9H19N2OP/c1-8(2)11(9(3)4)13-12-7-5-6-10/h8-9,13H,5,7H2,1-4H3
InChIKeyYCWVUOFESLTPPC-UHFFFAOYSA-N
XLogP2.54
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile?
The IUPAC name of 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile (CID 18624441) is 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile.
What is the SMILES notation for 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile?
The canonical SMILES for 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile is CC(C)N(POCCC#N)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile?
The InChIKey is YCWVUOFESLTPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2OP/c1-8(2)11(9(3)4)13-12-7-5-6-10/h8-9,13H,5,7H2,1-4H3.
What are the key properties of 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile?
3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile has a molecular weight of 202.24 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]phosphanyloxypropanenitrile is sourced from PubChem (CID 18624441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).