N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine

C9H18NO2P — CID 134897203

IUPACN-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine
SMILESC#CCN(CC)P(OCC)OCC
InChIInChI=1S/C9H18NO2P/c1-5-9-10(6-2)13(11-7-3)12-8-4/h1H,6-9H2,2-4H3
InChIKeyNDEFNLCYYVYWEE-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.24
Rot. Bonds7

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

N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine (PubChem CID 134897203) has the molecular formula C9H18NO2P and a molecular weight of 203.22 g/mol. Its IUPAC name is N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine
PubChem CID134897203
Molecular FormulaC9H18NO2P
Molecular Weight203.22 g/mol
Exact Mass203.11
IUPAC NameN-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine
SMILESC#CCN(CC)P(OCC)OCC
InChIInChI=1S/C9H18NO2P/c1-5-9-10(6-2)13(11-7-3)12-8-4/h1H,6-9H2,2-4H3
InChIKeyNDEFNLCYYVYWEE-UHFFFAOYSA-N
XLogP2.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.24
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-ethylprop-2-yn-1-amine?
The IUPAC name of N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine (CID 134897203) is N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine.
What is the SMILES notation for N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine?
The canonical SMILES for N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine is C#CCN(CC)P(OCC)OCC.
What is the InChIKey of N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine?
The InChIKey is NDEFNLCYYVYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2P/c1-5-9-10(6-2)13(11-7-3)12-8-4/h1H,6-9H2,2-4H3.
What are the key properties of N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine?
N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine has a molecular weight of 203.22 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine is sourced from PubChem (CID 134897203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).