2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal

C11H23NO2 — CID 79379227

IUPAC2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN(C)CC(C)(C)O
InChIInChI=1S/C11H23NO2/c1-6-11(4,9-13)8-12(5)7-10(2,3)14/h9,14H,6-8H2,1-5H3
InChIKeyYAMWWLRKLFCXEO-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.30
Rot. Bonds6

About 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal

2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal (PubChem CID 79379227) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal.

Molecular Properties

Compound Name2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal
PubChem CID79379227
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN(C)CC(C)(C)O
InChIInChI=1S/C11H23NO2/c1-6-11(4,9-13)8-12(5)7-10(2,3)14/h9,14H,6-8H2,1-5H3
InChIKeyYAMWWLRKLFCXEO-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal?
The IUPAC name of 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal (CID 79379227) is 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal.
What is the SMILES notation for 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal?
The canonical SMILES for 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal is CCC(C)(C=O)CN(C)CC(C)(C)O.
What is the InChIKey of 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal?
The InChIKey is YAMWWLRKLFCXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-11(4,9-13)8-12(5)7-10(2,3)14/h9,14H,6-8H2,1-5H3.
What are the key properties of 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal?
2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal has a molecular weight of 201.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal is sourced from PubChem (CID 79379227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).