4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine

C15H33NO2 — CID 62725442

IUPAC4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
SMILESCCCCOCCC(CC)(CC)CNCCOC
InChIInChI=1S/C15H33NO2/c1-5-8-11-18-12-9-15(6-2,7-3)14-16-10-13-17-4/h16H,5-14H2,1-4H3
InChIKeyLBAIYLXMNCLHFY-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.24
Rot. Bonds13

About 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine

4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine (PubChem CID 62725442) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
PubChem CID62725442
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
SMILESCCCCOCCC(CC)(CC)CNCCOC
InChIInChI=1S/C15H33NO2/c1-5-8-11-18-12-9-15(6-2,7-3)14-16-10-13-17-4/h16H,5-14H2,1-4H3
InChIKeyLBAIYLXMNCLHFY-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.24
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-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
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-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641672
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724048
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724244

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine (CID 62725442) is 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine is CCCCOCCC(CC)(CC)CNCCOC.
What is the InChIKey of 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is LBAIYLXMNCLHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-5-8-11-18-12-9-15(6-2,7-3)14-16-10-13-17-4/h16H,5-14H2,1-4H3.
What are the key properties of 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine?
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.24, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 62725442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).