2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one

C15H29NO2 — CID 79933120

IUPAC2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one
SMILESCCC(C)CN(C)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO2/c1-8-11(2)9-16(7)10-12-13(17)15(5,6)18-14(12,3)4/h11-12H,8-10H2,1-7H3
InChIKeyRQKDYJFKPNJCON-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds5

About 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one (PubChem CID 79933120) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one
PubChem CID79933120
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one
SMILESCCC(C)CN(C)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO2/c1-8-11(2)9-16(7)10-12-13(17)15(5,6)18-14(12,3)4/h11-12H,8-10H2,1-7H3
InChIKeyRQKDYJFKPNJCON-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one (CID 79933120) is 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one is CCC(C)CN(C)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one?
The InChIKey is RQKDYJFKPNJCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-8-11(2)9-16(7)10-12-13(17)15(5,6)18-14(12,3)4/h11-12H,8-10H2,1-7H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one has a molecular weight of 255.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79933120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).