2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine

C17H37NO2 — CID 115943404

IUPAC2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCOC(C)(C)C)CNCCOC
InChIInChI=1S/C17H37NO2/c1-7-9-10-17(8-2,15-18-12-14-19-6)11-13-20-16(3,4)5/h18H,7-15H2,1-6H3
InChIKeyMVCRCXJPICSMBW-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.01
Rot. Bonds12

About 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine

2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine (PubChem CID 115943404) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
PubChem CID115943404
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCOC(C)(C)C)CNCCOC
InChIInChI=1S/C17H37NO2/c1-7-9-10-17(8-2,15-18-12-14-19-6)11-13-20-16(3,4)5/h18H,7-15H2,1-6H3
InChIKeyMVCRCXJPICSMBW-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.01
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-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 65178147
2-ethyl-N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 112591499
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-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
CID 112591502
2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 106729932
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
3-(chloromethyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 112592393
2-ethyl-N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 63508272

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine (CID 115943404) is 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine is CCCCC(CC)(CCOC(C)(C)C)CNCCOC.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine?
The InChIKey is MVCRCXJPICSMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-7-9-10-17(8-2,15-18-12-14-19-6)11-13-20-16(3,4)5/h18H,7-15H2,1-6H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine?
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.01, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine is sourced from PubChem (CID 115943404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).