2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal

C11H25NO3 — CID 177338044

IUPAC2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal
SMILESCC(C)C=O.CCOCCOCCNC
InChIInChI=1S/C7H17NO2.C4H8O/c1-3-9-6-7-10-5-4-8-2;1-4(2)3-5/h8H,3-7H2,1-2H3;3-4H,1-2H3
InChIKeyAZZOCQBUNSBYPN-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.10
Rot. Bonds8

About 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal

2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal (PubChem CID 177338044) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal
PubChem CID177338044
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal
SMILESCC(C)C=O.CCOCCOCCNC
InChIInChI=1S/C7H17NO2.C4H8O/c1-3-9-6-7-10-5-4-8-2;1-4(2)3-5/h8H,3-7H2,1-2H3;3-4H,1-2H3
InChIKeyAZZOCQBUNSBYPN-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.10
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

N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
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
2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde
CID 163400108
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437
3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
CID 142623061
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal
CID 144736647
2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine
CID 174152104
N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane
CID 169158456
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal?
The IUPAC name of 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal (CID 177338044) is 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal is CC(C)C=O.CCOCCOCCNC.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal?
The InChIKey is AZZOCQBUNSBYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.C4H8O/c1-3-9-6-7-10-5-4-8-2;1-4(2)3-5/h8H,3-7H2,1-2H3;3-4H,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal?
2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal has a molecular weight of 219.32 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal is sourced from PubChem (CID 177338044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).