4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one

C11H21NO2 — CID 177014987

IUPAC4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one
SMILESCC(C)N(C)CCCC1(C)CC(=O)O1
InChIInChI=1S/C11H21NO2/c1-9(2)12(4)7-5-6-11(3)8-10(13)14-11/h9H,5-8H2,1-4H3
InChIKeyLGHLEFIAQTVWMS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds5

About 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one

4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one (PubChem CID 177014987) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one.

Molecular Properties

Compound Name4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one
PubChem CID177014987
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one
SMILESCC(C)N(C)CCCC1(C)CC(=O)O1
InChIInChI=1S/C11H21NO2/c1-9(2)12(4)7-5-6-11(3)8-10(13)14-11/h9H,5-8H2,1-4H3
InChIKeyLGHLEFIAQTVWMS-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one?
The IUPAC name of 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one (CID 177014987) is 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one.
What is the SMILES notation for 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one?
The canonical SMILES for 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one is CC(C)N(C)CCCC1(C)CC(=O)O1.
What is the InChIKey of 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one?
The InChIKey is LGHLEFIAQTVWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)12(4)7-5-6-11(3)8-10(13)14-11/h9H,5-8H2,1-4H3.
What are the key properties of 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one?
4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one is sourced from PubChem (CID 177014987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).