2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane

C15H37NO3 — CID 153390754

IUPAC2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
SMILESCC.CC.CCCCOCCOCCOCCNC
InChIInChI=1S/C11H25NO3.2C2H6/c1-3-4-6-13-8-10-15-11-9-14-7-5-12-2;2*1-2/h12H,3-11H2,1-2H3;2*1-2H3
InChIKeyXMIDGYQCLYJCNW-UHFFFAOYSA-N
MW279.46 g/mol
LogP3.11
Rot. Bonds12

About 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane

2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane (PubChem CID 153390754) has the molecular formula C15H37NO3 and a molecular weight of 279.46 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
PubChem CID153390754
Molecular FormulaC15H37NO3
Molecular Weight279.46 g/mol
Exact Mass279.28
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
SMILESCC.CC.CCCCOCCOCCOCCNC
InChIInChI=1S/C11H25NO3.2C2H6/c1-3-4-6-13-8-10-15-11-9-14-7-5-12-2;2*1-2/h12H,3-11H2,1-2H3;2*1-2H3
InChIKeyXMIDGYQCLYJCNW-UHFFFAOYSA-N
XLogP3.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
CID 166139470
2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine
CID 174152104
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
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
1-butoxybutane;N-methylmethanamine
CID 88830911
ethane;1-(2-propoxyethoxy)butane
CID 164535746
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
ethane;3-[2-(methylamino)ethoxy]propan-1-amine
CID 170614807
N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 155331327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane (CID 153390754) is 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane is CC.CC.CCCCOCCOCCOCCNC.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane?
The InChIKey is XMIDGYQCLYJCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3.2C2H6/c1-3-4-6-13-8-10-15-11-9-14-7-5-12-2;2*1-2/h12H,3-11H2,1-2H3;2*1-2H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane?
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane has a molecular weight of 279.46 g/mol, XLogP of 3.11, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane is sourced from PubChem (CID 153390754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).