ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate

C16H34N2O2 — CID 64726233

IUPACethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)N(C)CC(C)C)C(=O)OCC
InChIInChI=1S/C16H34N2O2/c1-8-10-17-16(6,15(19)20-9-2)11-14(5)18(7)12-13(3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyINLUDDFZLPXMRC-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.67
Rot. Bonds10

About ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate

ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate (PubChem CID 64726233) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
PubChem CID64726233
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nameethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)N(C)CC(C)C)C(=O)OCC
InChIInChI=1S/C16H34N2O2/c1-8-10-17-16(6,15(19)20-9-2)11-14(5)18(7)12-13(3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyINLUDDFZLPXMRC-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
ethyl 2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoate
CID 107756340
ethyl 2-methyl-4-(2-methylpropylsulfanyl)-2-(propylamino)pentanoate
CID 64710603
ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
CID 64710888
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
ethyl 2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoate
CID 82962855
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
CID 61001690
ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64704564
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
ethyl 2-methyl-4-(2-methylsulfonylethylsulfanyl)-2-(propylamino)pentanoate
CID 64704559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate?
The IUPAC name of ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate (CID 64726233) is ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate?
The canonical SMILES for ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate is CCCNC(C)(CC(C)N(C)CC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate?
The InChIKey is INLUDDFZLPXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-8-10-17-16(6,15(19)20-9-2)11-14(5)18(7)12-13(3)4/h13-14,17H,8-12H2,1-7H3.
What are the key properties of ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate?
ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate has a molecular weight of 286.46 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate is sourced from PubChem (CID 64726233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).