[bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium

C11H23NO2P+ — CID 175567567

IUPAC[bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium
SMILESCC(C)CN(CC(C)C)C[P+](=O)CC=O
InChIInChI=1S/C11H23NO2P/c1-10(2)7-12(8-11(3)4)9-15(14)6-5-13/h5,10-11H,6-9H2,1-4H3/q+1
InChIKeyKIJYZQSSOFKUFO-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.58
Rot. Bonds8

About [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium

[bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium (PubChem CID 175567567) has the molecular formula C11H23NO2P+ and a molecular weight of 232.28 g/mol. Its IUPAC name is [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium.

Molecular Properties

Compound Name[bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium
PubChem CID175567567
Molecular FormulaC11H23NO2P+
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC Name[bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium
SMILESCC(C)CN(CC(C)C)C[P+](=O)CC=O
InChIInChI=1S/C11H23NO2P/c1-10(2)7-12(8-11(3)4)9-15(14)6-5-13/h5,10-11H,6-9H2,1-4H3/q+1
InChIKeyKIJYZQSSOFKUFO-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium?
The IUPAC name of [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium (CID 175567567) is [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium.
What is the SMILES notation for [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium?
The canonical SMILES for [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium is CC(C)CN(CC(C)C)C[P+](=O)CC=O.
What is the InChIKey of [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium?
The InChIKey is KIJYZQSSOFKUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2P/c1-10(2)7-12(8-11(3)4)9-15(14)6-5-13/h5,10-11H,6-9H2,1-4H3/q+1.
What are the key properties of [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium?
[bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium has a molecular weight of 232.28 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-methylpropyl)amino]methyl-oxo-(2-oxoethyl)phosphanium is sourced from PubChem (CID 175567567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).