4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C18H33NO2 — CID 79912702

IUPAC4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC1CCC(N(C)CC2C(=O)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-7-13-8-10-14(11-9-13)19(6)12-15-16(20)18(4,5)21-17(15,2)3/h13-15H,7-12H2,1-6H3
InChIKeyZTZCNZZUPHECMU-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.66
Rot. Bonds4

About 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79912702) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79912702
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC1CCC(N(C)CC2C(=O)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-7-13-8-10-14(11-9-13)19(6)12-15-16(20)18(4,5)21-17(15,2)3/h13-15H,7-12H2,1-6H3
InChIKeyZTZCNZZUPHECMU-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79912702) is 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CCC1CCC(N(C)CC2C(=O)C(C)(C)OC2(C)C)CC1.
What is the InChIKey of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is ZTZCNZZUPHECMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-7-13-8-10-14(11-9-13)19(6)12-15-16(20)18(4,5)21-17(15,2)3/h13-15H,7-12H2,1-6H3.
What are the key properties of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 295.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79912702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).