3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile

C10H21N2OP — CID 20732891

IUPAC3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(C)OCCC#N
InChIInChI=1S/C10H21N2OP/c1-9(2)12(10(3)4)14(5)13-8-6-7-11/h9-10H,6,8H2,1-5H3
InChIKeyNMAFIEBOXWLEGI-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.98
Rot. Bonds6

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

3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile (PubChem CID 20732891) has the molecular formula C10H21N2OP and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile
PubChem CID20732891
Molecular FormulaC10H21N2OP
Molecular Weight216.26 g/mol
Exact Mass216.14
IUPAC Name3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(C)OCCC#N
InChIInChI=1S/C10H21N2OP/c1-9(2)12(10(3)4)14(5)13-8-6-7-11/h9-10H,6,8H2,1-5H3
InChIKeyNMAFIEBOXWLEGI-UHFFFAOYSA-N
XLogP2.98
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.98
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'}

Analyze 3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile?
The IUPAC name of 3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile (CID 20732891) is 3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile is CC(C)N(C(C)C)P(C)OCCC#N.
What is the InChIKey of 3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile?
The InChIKey is NMAFIEBOXWLEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2OP/c1-9(2)12(10(3)4)14(5)13-8-6-7-11/h9-10H,6,8H2,1-5H3.
What are the key properties of 3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile?
3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile has a molecular weight of 216.26 g/mol, XLogP of 2.98, 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]-methylphosphanyl]oxypropanenitrile is sourced from PubChem (CID 20732891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).