6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid

C14H27NO3 — CID 106204275

IUPAC6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
SMILESCCNC(C)(CCCCOCCC1CC1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-3-15-14(2,13(16)17)9-4-5-10-18-11-8-12-6-7-12/h12,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyNQUFJEBPTDXWLP-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.43
Rot. Bonds11

About 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid

6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid (PubChem CID 106204275) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid.

Molecular Properties

Compound Name6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
PubChem CID106204275
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
SMILESCCNC(C)(CCCCOCCC1CC1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-3-15-14(2,13(16)17)9-4-5-10-18-11-8-12-6-7-12/h12,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyNQUFJEBPTDXWLP-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
CID 106448940
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
2-(cyclopropylmethylamino)-2-methyloctanoic acid
CID 61001343
2-(ethylamino)-6-[2-(2-methoxyethoxy)ethoxy]-2-methylhexanamide
CID 104565452
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate
CID 82783283
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
2-methyl-2-(propylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783635
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid?
The IUPAC name of 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid (CID 106204275) is 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid.
What is the SMILES notation for 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid?
The canonical SMILES for 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid is CCNC(C)(CCCCOCCC1CC1)C(=O)O.
What is the InChIKey of 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid?
The InChIKey is NQUFJEBPTDXWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-15-14(2,13(16)17)9-4-5-10-18-11-8-12-6-7-12/h12,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid?
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.43, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid is sourced from PubChem (CID 106204275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).