(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate

C18H33NO2 — CID 138724450

IUPAC(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)OCC2CC(C)(C)N(C)C2(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-13-7-9-14(10-8-13)16(20)21-12-15-11-17(2,3)19(6)18(15,4)5/h13-15H,7-12H2,1-6H3
InChIKeyXBTKIKBCHGHHEA-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.86
Rot. Bonds3

About (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate

(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate (PubChem CID 138724450) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate
PubChem CID138724450
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)OCC2CC(C)(C)N(C)C2(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-13-7-9-14(10-8-13)16(20)21-12-15-11-17(2,3)19(6)18(15,4)5/h13-15H,7-12H2,1-6H3
InChIKeyXBTKIKBCHGHHEA-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 3-[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate;[4-[4-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxymethyl]phenyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]cyclohexyl]cyclohexane-1-carboxylate
CID 158702284
hydroxymethyl 4-methylcyclohexane-1-carboxylate
CID 137371727
bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,4-dicarboxylate
CID 138723963
[4-(4-methylphenoxy)carbonylcyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724194
2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate
CID 138724121
tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] ethene-1,1,2,2-tetracarboxylate
CID 138724239
8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724292
bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate
CID 54182156
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
1-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 7-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-methoxy-4-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]heptanedioate
CID 140895320

Frequently Asked Questions

What is the IUPAC name of (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate?
The IUPAC name of (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate (CID 138724450) is (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate?
The canonical SMILES for (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate is CC1CCC(C(=O)OCC2CC(C)(C)N(C)C2(C)C)CC1.
What is the InChIKey of (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate?
The InChIKey is XBTKIKBCHGHHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-13-7-9-14(10-8-13)16(20)21-12-15-11-17(2,3)19(6)18(15,4)5/h13-15H,7-12H2,1-6H3.
What are the key properties of (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate?
(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 138724450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).