2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine

C16H35NO4 — CID 104566572

IUPAC2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CC)(CCOCCOCCOC)CNCCOC
InChIInChI=1S/C16H35NO4/c1-5-16(6-2,15-17-8-10-18-3)7-9-20-13-14-21-12-11-19-4/h17H,5-15H2,1-4H3
InChIKeyCNVTTZCNJARVDJ-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.10
Rot. Bonds16

About 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine

2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 104566572) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
PubChem CID104566572
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CC)(CCOCCOCCOC)CNCCOC
InChIInChI=1S/C16H35NO4/c1-5-16(6-2,15-17-8-10-18-3)7-9-20-13-14-21-12-11-19-4/h17H,5-15H2,1-4H3
InChIKeyCNVTTZCNJARVDJ-UHFFFAOYSA-N
XLogP2.10
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(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-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 104568681
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
CID 104566584
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724048
2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 65178147
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine (CID 104566572) is 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine is CCC(CC)(CCOCCOCCOC)CNCCOC.
What is the InChIKey of 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is CNVTTZCNJARVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-5-16(6-2,15-17-8-10-18-3)7-9-20-13-14-21-12-11-19-4/h17H,5-15H2,1-4H3.
What are the key properties of 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine?
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 2.10, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 104566572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).