N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine

C8H16NO2P — CID 13087644

IUPACN-diethoxyphosphanyl-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)P(OCC)OCC
InChIInChI=1S/C8H16NO2P/c1-5-8-9(4)12(10-6-2)11-7-3/h1H,6-8H2,2-4H3
InChIKeyVKJJGJOERKAZQH-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.85
Rot. Bonds6

About N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine

N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine (PubChem CID 13087644) has the molecular formula C8H16NO2P and a molecular weight of 189.19 g/mol. Its IUPAC name is N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-diethoxyphosphanyl-N-methylprop-2-yn-1-amine
PubChem CID13087644
Molecular FormulaC8H16NO2P
Molecular Weight189.19 g/mol
Exact Mass189.09
IUPAC NameN-diethoxyphosphanyl-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)P(OCC)OCC
InChIInChI=1S/C8H16NO2P/c1-5-8-9(4)12(10-6-2)11-7-3/h1H,6-8H2,2-4H3
InChIKeyVKJJGJOERKAZQH-UHFFFAOYSA-N
XLogP1.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine?
The IUPAC name of N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine (CID 13087644) is N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine is C#CCN(C)P(OCC)OCC.
What is the InChIKey of N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine?
The InChIKey is VKJJGJOERKAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2P/c1-5-8-9(4)12(10-6-2)11-7-3/h1H,6-8H2,2-4H3.
What are the key properties of N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine?
N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine has a molecular weight of 189.19 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 13087644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).