ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate

C17H36N2O2 — CID 64710888

IUPACethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
SMILESCCNC(C)(CC(C)N(CC(C)C)C(C)C)C(=O)OCC
InChIInChI=1S/C17H36N2O2/c1-9-18-17(8,16(20)21-10-2)11-15(7)19(14(5)6)12-13(3)4/h13-15,18H,9-12H2,1-8H3
InChIKeyGOCDKWZFNDEDDA-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.06
Rot. Bonds10

About ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate

ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate (PubChem CID 64710888) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
PubChem CID64710888
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Nameethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
SMILESCCNC(C)(CC(C)N(CC(C)C)C(C)C)C(=O)OCC
InChIInChI=1S/C17H36N2O2/c1-9-18-17(8,16(20)21-10-2)11-15(7)19(14(5)6)12-13(3)4/h13-15,18H,9-12H2,1-8H3
InChIKeyGOCDKWZFNDEDDA-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725654
ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
CID 64726233
ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
CID 64710194
ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
CID 61001690
ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64704564
methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
CID 64710892
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
CID 78977417
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
CID 115128719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate (CID 64710888) is ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate is CCNC(C)(CC(C)N(CC(C)C)C(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate?
The InChIKey is GOCDKWZFNDEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-9-18-17(8,16(20)21-10-2)11-15(7)19(14(5)6)12-13(3)4/h13-15,18H,9-12H2,1-8H3.
What are the key properties of ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate?
ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate has a molecular weight of 300.49 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate is sourced from PubChem (CID 64710888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).