3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal

C11H24N2O2 — CID 144736647

IUPAC3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal
SMILESCNCCOCCN(C)C(C=O)C(C)C
InChIInChI=1S/C11H24N2O2/c1-10(2)11(9-14)13(4)6-8-15-7-5-12-3/h9-12H,5-8H2,1-4H3
InChIKeyKGLQNIZOBWYRJF-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.38
Rot. Bonds9

About 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal

3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal (PubChem CID 144736647) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal.

Molecular Properties

Compound Name3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal
PubChem CID144736647
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal
SMILESCNCCOCCN(C)C(C=O)C(C)C
InChIInChI=1S/C11H24N2O2/c1-10(2)11(9-14)13(4)6-8-15-7-5-12-3/h9-12H,5-8H2,1-4H3
InChIKeyKGLQNIZOBWYRJF-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal
CID 177338044
(2S)-2-amino-6-[3-[2-[2-[2-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoic acid
CID 173485744
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
N-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 166694904
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide
CID 156860349
2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 171530208
N-[3-[2-(methylamino)ethoxy]propyl]formamide
CID 171561109
3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
CID 142623061

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal?
The IUPAC name of 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal (CID 144736647) is 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal.
What is the SMILES notation for 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal?
The canonical SMILES for 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal is CNCCOCCN(C)C(C=O)C(C)C.
What is the InChIKey of 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal?
The InChIKey is KGLQNIZOBWYRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(2)11(9-14)13(4)6-8-15-7-5-12-3/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal?
3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal has a molecular weight of 216.32 g/mol, XLogP of 0.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal is sourced from PubChem (CID 144736647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).