2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine

C17H37NO2 — CID 62724846

IUPAC2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCOCCC(CC)(CCCC)CNCCOC
InChIInChI=1S/C17H37NO2/c1-5-8-10-17(7-3,16-18-12-15-19-4)11-14-20-13-9-6-2/h18H,5-16H2,1-4H3
InChIKeyCNKJPJSVTSKHLJ-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.02
Rot. Bonds15

About 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine

2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 62724846) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
PubChem CID62724846
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCOCCC(CC)(CCCC)CNCCOC
InChIInChI=1S/C17H37NO2/c1-5-8-10-17(7-3,16-18-12-15-19-4)11-14-20-13-9-6-2/h18H,5-16H2,1-4H3
InChIKeyCNKJPJSVTSKHLJ-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 65178147
2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 106729932
2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62726032
2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641672
2-ethyl-N-(2-methoxyethyl)-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
CID 65165599
2-ethyl-N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 63508272

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine (CID 62724846) is 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine is CCCCOCCC(CC)(CCCC)CNCCOC.
What is the InChIKey of 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is CNKJPJSVTSKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-5-8-10-17(7-3,16-18-12-15-19-4)11-14-20-13-9-6-2/h18H,5-16H2,1-4H3.
What are the key properties of 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.02, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 62724846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).