methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate

C15H32N2O2 — CID 79483575

IUPACmethyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
SMILESCCNC(CN(CC(C)C)C(CC)CC)C(=O)OC
InChIInChI=1S/C15H32N2O2/c1-7-13(8-2)17(10-12(4)5)11-14(16-9-3)15(18)19-6/h12-14,16H,7-11H2,1-6H3
InChIKeyZTXYPQBJAXVFLR-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.28
Rot. Bonds10

About methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate

methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate (PubChem CID 79483575) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
PubChem CID79483575
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Namemethyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
SMILESCCNC(CN(CC(C)C)C(CC)CC)C(=O)OC
InChIInChI=1S/C15H32N2O2/c1-7-13(8-2)17(10-12(4)5)11-14(16-9-3)15(18)19-6/h12-14,16H,7-11H2,1-6H3
InChIKeyZTXYPQBJAXVFLR-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028254
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate
CID 63699450
methyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(propylamino)propanoate
CID 103190970
ethyl 3-[bis(3-methylbutyl)amino]-2-(ethylamino)propanoate
CID 107870945
2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
methyl 2-(ethylamino)-4-(4-methylpentoxy)butanoate
CID 63041531
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate?
The IUPAC name of methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate (CID 79483575) is methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate is CCNC(CN(CC(C)C)C(CC)CC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate?
The InChIKey is ZTXYPQBJAXVFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-7-13(8-2)17(10-12(4)5)11-14(16-9-3)15(18)19-6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate?
methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate has a molecular weight of 272.43 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate is sourced from PubChem (CID 79483575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).