1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one

C9H21N2O3P — CID 158910314

IUPAC1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one
SMILESCC(=O)CN(C)P(=O)(OC(C)C)N(C)C
InChIInChI=1S/C9H21N2O3P/c1-8(2)14-15(13,10(4)5)11(6)7-9(3)12/h8H,7H2,1-6H3
InChIKeyNXIKGDSKUUJUPT-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.60
Rot. Bonds6

About 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one

1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one (PubChem CID 158910314) has the molecular formula C9H21N2O3P and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one
PubChem CID158910314
Molecular FormulaC9H21N2O3P
Molecular Weight236.25 g/mol
Exact Mass236.13
IUPAC Name1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one
SMILESCC(=O)CN(C)P(=O)(OC(C)C)N(C)C
InChIInChI=1S/C9H21N2O3P/c1-8(2)14-15(13,10(4)5)11(6)7-9(3)12/h8H,7H2,1-6H3
InChIKeyNXIKGDSKUUJUPT-UHFFFAOYSA-N
XLogP1.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.60
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 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one?
The IUPAC name of 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one (CID 158910314) is 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one.
What is the SMILES notation for 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one?
The canonical SMILES for 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one is CC(=O)CN(C)P(=O)(OC(C)C)N(C)C.
What is the InChIKey of 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one?
The InChIKey is NXIKGDSKUUJUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O3P/c1-8(2)14-15(13,10(4)5)11(6)7-9(3)12/h8H,7H2,1-6H3.
What are the key properties of 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one?
1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one has a molecular weight of 236.25 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one is sourced from PubChem (CID 158910314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).