methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate

C8H19N2O2P — CID 162757733

IUPACmethylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate
SMILESCPCOC(=O)N(C)CCN(C)C
InChIInChI=1S/C8H19N2O2P/c1-9(2)5-6-10(3)8(11)12-7-13-4/h13H,5-7H2,1-4H3
InChIKeyYZRNZAWANAHYGJ-UHFFFAOYSA-N
MW206.23 g/mol
LogP0.88
Rot. Bonds5

About methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate

methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate (PubChem CID 162757733) has the molecular formula C8H19N2O2P and a molecular weight of 206.23 g/mol. Its IUPAC name is methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate
PubChem CID162757733
Molecular FormulaC8H19N2O2P
Molecular Weight206.23 g/mol
Exact Mass206.12
IUPAC Namemethylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate
SMILESCPCOC(=O)N(C)CCN(C)C
InChIInChI=1S/C8H19N2O2P/c1-9(2)5-6-10(3)8(11)12-7-13-4/h13H,5-7H2,1-4H3
InChIKeyYZRNZAWANAHYGJ-UHFFFAOYSA-N
XLogP0.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 50.88
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 methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate?
The IUPAC name of methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate (CID 162757733) is methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate.
What is the SMILES notation for methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate?
The canonical SMILES for methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate is CPCOC(=O)N(C)CCN(C)C.
What is the InChIKey of methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate?
The InChIKey is YZRNZAWANAHYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O2P/c1-9(2)5-6-10(3)8(11)12-7-13-4/h13H,5-7H2,1-4H3.
What are the key properties of methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate?
methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate has a molecular weight of 206.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphanylmethyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate is sourced from PubChem (CID 162757733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).