methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate

C15H31NO3 — CID 114208556

IUPACmethyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate
SMILESCCNC(C)(CC(C)OCC(CC)CC)C(=O)OC
InChIInChI=1S/C15H31NO3/c1-7-13(8-2)11-19-12(4)10-15(5,16-9-3)14(17)18-6/h12-13,16H,7-11H2,1-6H3
InChIKeyIQKRJRKPNHRYCZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.76
Rot. Bonds10

About methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate

methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate (PubChem CID 114208556) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate
PubChem CID114208556
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Namemethyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate
SMILESCCNC(C)(CC(C)OCC(CC)CC)C(=O)OC
InChIInChI=1S/C15H31NO3/c1-7-13(8-2)11-19-12(4)10-15(5,16-9-3)14(17)18-6/h12-13,16H,7-11H2,1-6H3
InChIKeyIQKRJRKPNHRYCZ-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706315
methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706936
methyl 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)pentanoate
CID 82005665
methyl 4-butan-2-ylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 64709268
methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
CID 64705937
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852
2-(ethylamino)-2-methyl-4-propoxypentanamide
CID 64708736
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate (CID 114208556) is methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate is CCNC(C)(CC(C)OCC(CC)CC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate?
The InChIKey is IQKRJRKPNHRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-7-13(8-2)11-19-12(4)10-15(5,16-9-3)14(17)18-6/h12-13,16H,7-11H2,1-6H3.
What are the key properties of methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate?
methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate has a molecular weight of 273.42 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate is sourced from PubChem (CID 114208556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).