2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine

C16H35NO2 — CID 65178147

IUPAC2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCC(CC)(CCCOCC)CNCCOC
InChIInChI=1S/C16H35NO2/c1-5-8-10-16(6-2,11-9-13-19-7-3)15-17-12-14-18-4/h17H,5-15H2,1-4H3
InChIKeyKNQNQHOTBQLYIM-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.63
Rot. Bonds14

About 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine

2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 65178147) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
PubChem CID65178147
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCC(CC)(CCCOCC)CNCCOC
InChIInChI=1S/C16H35NO2/c1-5-8-10-16(6-2,11-9-13-19-7-3)15-17-12-14-18-4/h17H,5-15H2,1-4H3
InChIKeyKNQNQHOTBQLYIM-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.63
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

2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
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-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
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine (CID 65178147) is 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine is CCCCC(CC)(CCCOCC)CNCCOC.
What is the InChIKey of 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is KNQNQHOTBQLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-5-8-10-16(6-2,11-9-13-19-7-3)15-17-12-14-18-4/h17H,5-15H2,1-4H3.
What are the key properties of 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 3.63, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 65178147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).