4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C17H31NO2 — CID 79933682

IUPAC4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCN(CC1CCCCC1)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C17H31NO2/c1-16(2)14(15(19)17(3,4)20-16)12-18(5)11-13-9-7-6-8-10-13/h13-14H,6-12H2,1-5H3
InChIKeyOLIYSDPWKFDAAW-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.27
Rot. Bonds4

About 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79933682) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79933682
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCN(CC1CCCCC1)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C17H31NO2/c1-16(2)14(15(19)17(3,4)20-16)12-18(5)11-13-9-7-6-8-10-13/h13-14H,6-12H2,1-5H3
InChIKeyOLIYSDPWKFDAAW-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79933682) is 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CN(CC1CCCCC1)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is OLIYSDPWKFDAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-16(2)14(15(19)17(3,4)20-16)12-18(5)11-13-9-7-6-8-10-13/h13-14H,6-12H2,1-5H3.
What are the key properties of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 281.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79933682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).