6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid

C15H32N2O3 — CID 63692483

IUPAC6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid
SMILESCCNC(C)(CCCCN(CC)CCOCC)C(=O)O
InChIInChI=1S/C15H32N2O3/c1-5-16-15(4,14(18)19)10-8-9-11-17(6-2)12-13-20-7-3/h16H,5-13H2,1-4H3,(H,18,19)
InChIKeyTXXIWPLLSMBVAW-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.97
Rot. Bonds13

About 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid

6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid (PubChem CID 63692483) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid.

Molecular Properties

Compound Name6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid
PubChem CID63692483
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid
SMILESCCNC(C)(CCCCN(CC)CCOCC)C(=O)O
InChIInChI=1S/C15H32N2O3/c1-5-16-15(4,14(18)19)10-8-9-11-17(6-2)12-13-20-7-3/h16H,5-13H2,1-4H3,(H,18,19)
InChIKeyTXXIWPLLSMBVAW-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid?
The IUPAC name of 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid (CID 63692483) is 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid.
What is the SMILES notation for 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid?
The canonical SMILES for 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid is CCNC(C)(CCCCN(CC)CCOCC)C(=O)O.
What is the InChIKey of 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid?
The InChIKey is TXXIWPLLSMBVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-5-16-15(4,14(18)19)10-8-9-11-17(6-2)12-13-20-7-3/h16H,5-13H2,1-4H3,(H,18,19).
What are the key properties of 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid?
6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid has a molecular weight of 288.43 g/mol, XLogP of 1.97, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid is sourced from PubChem (CID 63692483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).