2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine

C10H23NO3 — CID 135175798

IUPAC2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
SMILESCNCCOCCOCCCCOC
InChIInChI=1S/C10H23NO3/c1-11-5-8-14-10-9-13-7-4-3-6-12-2/h11H,3-10H2,1-2H3
InChIKeyBNSBJYOGTXDJTB-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.67
Rot. Bonds11

About 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine

2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine (PubChem CID 135175798) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
PubChem CID135175798
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
SMILESCNCCOCCOCCCCOC
InChIInChI=1S/C10H23NO3/c1-11-5-8-14-10-9-13-7-4-3-6-12-2/h11H,3-10H2,1-2H3
InChIKeyBNSBJYOGTXDJTB-UHFFFAOYSA-N
XLogP0.67
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.67
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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine;1-methoxy-2-(2-methoxyethoxy)ethane
CID 168897586
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine
CID 176551886
2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol
CID 134581965
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine (CID 135175798) is 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine is CNCCOCCOCCCCOC.
What is the InChIKey of 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine?
The InChIKey is BNSBJYOGTXDJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-11-5-8-14-10-9-13-7-4-3-6-12-2/h11H,3-10H2,1-2H3.
What are the key properties of 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine?
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine has a molecular weight of 205.30 g/mol, XLogP of 0.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine is sourced from PubChem (CID 135175798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).