ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate

C16H34N2O3 — CID 81043545

IUPACethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate
SMILESCCNC(C)(CCCCN(C)CCOCC)C(=O)OCC
InChIInChI=1S/C16H34N2O3/c1-6-17-16(4,15(19)21-8-3)11-9-10-12-18(5)13-14-20-7-2/h17H,6-14H2,1-5H3
InChIKeyAMOGRZWPEGXDAB-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.06
Rot. Bonds13

About ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate

ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate (PubChem CID 81043545) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate.

Molecular Properties

Compound Nameethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate
PubChem CID81043545
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nameethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate
SMILESCCNC(C)(CCCCN(C)CCOCC)C(=O)OCC
InChIInChI=1S/C16H34N2O3/c1-6-17-16(4,15(19)21-8-3)11-9-10-12-18(5)13-14-20-7-2/h17H,6-14H2,1-5H3
InChIKeyAMOGRZWPEGXDAB-UHFFFAOYSA-N
XLogP2.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate?
The IUPAC name of ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate (CID 81043545) is ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate.
What is the SMILES notation for ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate?
The canonical SMILES for ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate is CCNC(C)(CCCCN(C)CCOCC)C(=O)OCC.
What is the InChIKey of ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate?
The InChIKey is AMOGRZWPEGXDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-6-17-16(4,15(19)21-8-3)11-9-10-12-18(5)13-14-20-7-2/h17H,6-14H2,1-5H3.
What are the key properties of ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate?
ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate has a molecular weight of 302.46 g/mol, XLogP of 2.06, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate is sourced from PubChem (CID 81043545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).