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

C17H31NO3 — CID 79913010

IUPAC4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CCO)C2CCCCC2)C1=O
InChIInChI=1S/C17H31NO3/c1-16(2)14(15(20)17(3,4)21-16)12-18(10-11-19)13-8-6-5-7-9-13/h13-14,19H,5-12H2,1-4H3
InChIKeyYYEGRLDBSSNAPS-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.39
Rot. Bonds5

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

4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79913010) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79913010
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CCO)C2CCCCC2)C1=O
InChIInChI=1S/C17H31NO3/c1-16(2)14(15(20)17(3,4)21-16)12-18(10-11-19)13-8-6-5-7-9-13/h13-14,19H,5-12H2,1-4H3
InChIKeyYYEGRLDBSSNAPS-UHFFFAOYSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79913010) is 4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN(CCO)C2CCCCC2)C1=O.
What is the InChIKey of 4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is YYEGRLDBSSNAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-16(2)14(15(20)17(3,4)21-16)12-18(10-11-19)13-8-6-5-7-9-13/h13-14,19H,5-12H2,1-4H3.
What are the key properties of 4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 297.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79913010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).