ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate

C16H34N2O3 — CID 82940420

IUPACethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate
SMILESCCOC(=O)C(C)(CCCCN(CCOC)C(C)C)NC
InChIInChI=1S/C16H34N2O3/c1-7-21-15(19)16(4,17-5)10-8-9-11-18(14(2)3)12-13-20-6/h14,17H,7-13H2,1-6H3
InChIKeyXXVKUZOLWVBHIM-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.05
Rot. Bonds12

About ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate

ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate (PubChem CID 82940420) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate
PubChem CID82940420
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nameethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate
SMILESCCOC(=O)C(C)(CCCCN(CCOC)C(C)C)NC
InChIInChI=1S/C16H34N2O3/c1-7-21-15(19)16(4,17-5)10-8-9-11-18(14(2)3)12-13-20-6/h14,17H,7-13H2,1-6H3
InChIKeyXXVKUZOLWVBHIM-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate with MolForge

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Related Compounds

ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
CID 104565496
ethyl 6-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)hexanoate
CID 63857434
2-(ethylamino)-5-[2-methoxyethyl(propan-2-yl)amino]-2-methylpentanamide
CID 82961131
ethyl 5-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 63856162
ethyl 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)butanoate
CID 103180000
ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
CID 103489864
2-(cyclopropylamino)-5-[2-methoxyethyl(propan-2-yl)amino]-2-methylpentanamide
CID 82960589
2-(ethylamino)-4-[2-methoxyethyl(propan-2-yl)amino]-2-methylbutanamide
CID 82959553
2-(ethylamino)-6-[2-methoxyethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 82965249
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
ethyl 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 107771791

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate?
The IUPAC name of ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate (CID 82940420) is ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate.
What is the SMILES notation for ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate?
The canonical SMILES for ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate is CCOC(=O)C(C)(CCCCN(CCOC)C(C)C)NC.
What is the InChIKey of ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate?
The InChIKey is XXVKUZOLWVBHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-7-21-15(19)16(4,17-5)10-8-9-11-18(14(2)3)12-13-20-6/h14,17H,7-13H2,1-6H3.
What are the key properties of ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate?
ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate has a molecular weight of 302.46 g/mol, XLogP of 2.05, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate is sourced from PubChem (CID 82940420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).