2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid

C15H31NO4 — CID 106448940

IUPAC2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
SMILESCCNC(C)(CCCCOCCOCC(C)C)C(=O)O
InChIInChI=1S/C15H31NO4/c1-5-16-15(4,14(17)18)8-6-7-9-19-10-11-20-12-13(2)3/h13,16H,5-12H2,1-4H3,(H,17,18)
InChIKeyIHYRTKAVTZQJDU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.30
Rot. Bonds13

About 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid

2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid (PubChem CID 106448940) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
PubChem CID106448940
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
SMILESCCNC(C)(CCCCOCCOCC(C)C)C(=O)O
InChIInChI=1S/C15H31NO4/c1-5-16-15(4,14(17)18)8-6-7-9-19-10-11-20-12-13(2)3/h13,16H,5-12H2,1-4H3,(H,17,18)
InChIKeyIHYRTKAVTZQJDU-UHFFFAOYSA-N
XLogP2.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275
2-(ethylamino)-6-[2-(2-methoxyethoxy)ethoxy]-2-methylhexanamide
CID 104565452
methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate
CID 106448960
methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate
CID 82783283
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 114208529
2-methyl-2-(propylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783635
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
2-(ethylamino)-2-methyl-5-(2-methylpentoxy)pentanamide
CID 103284877
2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448821
6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid
CID 63692483

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid (CID 106448940) is 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid is CCNC(C)(CCCCOCCOCC(C)C)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid?
The InChIKey is IHYRTKAVTZQJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-5-16-15(4,14(17)18)8-6-7-9-19-10-11-20-12-13(2)3/h13,16H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid?
2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid has a molecular weight of 289.42 g/mol, XLogP of 2.30, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid is sourced from PubChem (CID 106448940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).