3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine

C10H23N2O2P — CID 88516613

IUPAC3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.N#CCCOCOP
InChIInChI=1S/C6H15N.C4H8NO2P/c1-5(2)7-6(3)4;5-2-1-3-6-4-7-8/h5-7H,1-4H3;1,3-4,8H2
InChIKeyLZAWGKSTRXCKOE-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.07
Rot. Bonds6

About 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine

3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine (PubChem CID 88516613) has the molecular formula C10H23N2O2P and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine
PubChem CID88516613
Molecular FormulaC10H23N2O2P
Molecular Weight234.28 g/mol
Exact Mass234.15
IUPAC Name3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.N#CCCOCOP
InChIInChI=1S/C6H15N.C4H8NO2P/c1-5(2)7-6(3)4;5-2-1-3-6-4-7-8/h5-7H,1-4H3;1,3-4,8H2
InChIKeyLZAWGKSTRXCKOE-UHFFFAOYSA-N
XLogP2.07
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine 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-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine?
The IUPAC name of 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine (CID 88516613) is 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine?
The canonical SMILES for 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.N#CCCOCOP.
What is the InChIKey of 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine?
The InChIKey is LZAWGKSTRXCKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H8NO2P/c1-5(2)7-6(3)4;5-2-1-3-6-4-7-8/h5-7H,1-4H3;1,3-4,8H2.
What are the key properties of 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine?
3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine has a molecular weight of 234.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 88516613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).