methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate

C17H34N2O2 — CID 114596468

IUPACmethyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate
SMILESCCNC(C)(CC(C)N1CC(C)CC(C)C1C)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-8-18-17(6,16(20)21-7)10-14(4)19-11-12(2)9-13(3)15(19)5/h12-15,18H,8-11H2,1-7H3
InChIKeyQVCBAHPBDFNEAR-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.67
Rot. Bonds6

About methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate

methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate (PubChem CID 114596468) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate
PubChem CID114596468
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate
SMILESCCNC(C)(CC(C)N1CC(C)CC(C)C1C)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-8-18-17(6,16(20)21-7)10-14(4)19-11-12(2)9-13(3)15(19)5/h12-15,18H,8-11H2,1-7H3
InChIKeyQVCBAHPBDFNEAR-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate with MolForge

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 114596369
methyl 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(ethylamino)-2-methylpentanoate
CID 64711437
methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
CID 64705542
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide
CID 79184110
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64712033
methyl 4-butan-2-ylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 64709268
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate
CID 114593949
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 65324725
tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
CID 102730533

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate (CID 114596468) is methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate is CCNC(C)(CC(C)N1CC(C)CC(C)C1C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate?
The InChIKey is QVCBAHPBDFNEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-8-18-17(6,16(20)21-7)10-14(4)19-11-12(2)9-13(3)15(19)5/h12-15,18H,8-11H2,1-7H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate?
methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate has a molecular weight of 298.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate is sourced from PubChem (CID 114596468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).