N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine

C11H23N2O2P — CID 71444753

IUPACN-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine
SMILESC#CCOP(=O)(N(CC)CC)N(CC)CC
InChIInChI=1S/C11H23N2O2P/c1-6-11-15-16(14,12(7-2)8-3)13(9-4)10-5/h1H,7-11H2,2-5H3
InChIKeyDEHSPEZTBSYMPL-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.43
Rot. Bonds8

About N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine

N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine (PubChem CID 71444753) has the molecular formula C11H23N2O2P and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine
PubChem CID71444753
Molecular FormulaC11H23N2O2P
Molecular Weight246.29 g/mol
Exact Mass246.15
IUPAC NameN-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine
SMILESC#CCOP(=O)(N(CC)CC)N(CC)CC
InChIInChI=1S/C11H23N2O2P/c1-6-11-15-16(14,12(7-2)8-3)13(9-4)10-5/h1H,7-11H2,2-5H3
InChIKeyDEHSPEZTBSYMPL-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine (CID 71444753) is N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine is C#CCOP(=O)(N(CC)CC)N(CC)CC.
What is the InChIKey of N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine?
The InChIKey is DEHSPEZTBSYMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O2P/c1-6-11-15-16(14,12(7-2)8-3)13(9-4)10-5/h1H,7-11H2,2-5H3.
What are the key properties of N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine?
N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine has a molecular weight of 246.29 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine is sourced from PubChem (CID 71444753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).