ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate

C15H32N2O2 — CID 79482373

IUPACethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate
SMILESCCNC(CCN(CC)CC(C)CC)C(=O)OCC
InChIInChI=1S/C15H32N2O2/c1-6-13(5)12-17(8-3)11-10-14(16-7-2)15(18)19-9-4/h13-14,16H,6-12H2,1-5H3
InChIKeyFJYSQDYEDBQLFF-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.29
Rot. Bonds11

About ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate

ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate (PubChem CID 79482373) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate
PubChem CID79482373
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nameethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate
SMILESCCNC(CCN(CC)CC(C)CC)C(=O)OCC
InChIInChI=1S/C15H32N2O2/c1-6-13(5)12-17(8-3)11-10-14(16-7-2)15(18)19-9-4/h13-14,16H,6-12H2,1-5H3
InChIKeyFJYSQDYEDBQLFF-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
CID 79481579
ethyl 3-[bis(3-methylbutyl)amino]-2-(ethylamino)propanoate
CID 107870945
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
CID 63054301
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
ethyl 4-[bis(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoate
CID 63055477
methyl 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoate
CID 63053198
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate
CID 63033263

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate (CID 79482373) is ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate is CCNC(CCN(CC)CC(C)CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate?
The InChIKey is FJYSQDYEDBQLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-13(5)12-17(8-3)11-10-14(16-7-2)15(18)19-9-4/h13-14,16H,6-12H2,1-5H3.
What are the key properties of ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate?
ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate has a molecular weight of 272.43 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate is sourced from PubChem (CID 79482373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).