2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine

C23H50N2O7 — CID 174152104

IUPAC2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine
SMILESCCCCOCCN(CCOCCOCCNC)CCOCCOCCOCCOCC
InChIInChI=1S/C23H50N2O7/c1-4-6-11-27-13-8-25(9-14-29-19-18-28-12-7-24-3)10-15-30-20-21-32-23-22-31-17-16-26-5-2/h24H,4-23H2,1-3H3
InChIKeyMXFBFVMOUBJKQT-UHFFFAOYSA-N
MW466.66 g/mol
LogP1.44
Rot. Bonds28

About 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine

2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine (PubChem CID 174152104) has the molecular formula C23H50N2O7 and a molecular weight of 466.66 g/mol. Its IUPAC name is 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine
PubChem CID174152104
Molecular FormulaC23H50N2O7
Molecular Weight466.66 g/mol
Exact Mass466.36
IUPAC Name2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine
SMILESCCCCOCCN(CCOCCOCCNC)CCOCCOCCOCCOCC
InChIInChI=1S/C23H50N2O7/c1-4-6-11-27-13-8-25(9-14-29-19-18-28-12-7-24-3)10-15-30-20-21-32-23-22-31-17-16-26-5-2/h24H,4-23H2,1-3H3
InChIKeyMXFBFVMOUBJKQT-UHFFFAOYSA-N
XLogP1.44
TPSA79.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.66
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine
CID 174152095
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 58803335
ethane;1-ethoxybutane
CID 143206406
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
CID 166139470
N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide
CID 174152090
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine (CID 174152104) is 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine is CCCCOCCN(CCOCCOCCNC)CCOCCOCCOCCOCC.
What is the InChIKey of 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine?
The InChIKey is MXFBFVMOUBJKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2O7/c1-4-6-11-27-13-8-25(9-14-29-19-18-28-12-7-24-3)10-15-30-20-21-32-23-22-31-17-16-26-5-2/h24H,4-23H2,1-3H3.
What are the key properties of 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine?
2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine has a molecular weight of 466.66 g/mol, XLogP of 1.44, 28 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine is sourced from PubChem (CID 174152104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).