2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine

C17H37NO3 — CID 103412480

IUPAC2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCC(CC)(CCCOCCOC)CNCCOC
InChIInChI=1S/C17H37NO3/c1-5-7-9-17(6-2,16-18-11-13-19-3)10-8-12-21-15-14-20-4/h18H,5-16H2,1-4H3
InChIKeyMZAJPGGNPOBMCB-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.25
Rot. Bonds16

About 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine

2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 103412480) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
PubChem CID103412480
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Name2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCC(CC)(CCCOCCOC)CNCCOC
InChIInChI=1S/C17H37NO3/c1-5-7-9-17(6-2,16-18-11-13-19-3)10-8-12-21-15-14-20-4/h18H,5-16H2,1-4H3
InChIKeyMZAJPGGNPOBMCB-UHFFFAOYSA-N
XLogP3.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.25
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-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
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
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62726032
2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 106729932
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
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine (CID 103412480) is 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine is CCCCC(CC)(CCCOCCOC)CNCCOC.
What is the InChIKey of 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is MZAJPGGNPOBMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3/c1-5-7-9-17(6-2,16-18-11-13-19-3)10-8-12-21-15-14-20-4/h18H,5-16H2,1-4H3.
What are the key properties of 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine?
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 303.49 g/mol, XLogP of 3.25, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 103412480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).