2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone

C11H21NO2 — CID 104749852

IUPAC2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCCCCN(C)CC(=O)C1CCOC1
InChIInChI=1S/C11H21NO2/c1-3-4-6-12(2)8-11(13)10-5-7-14-9-10/h10H,3-9H2,1-2H3
InChIKeyVOASPHLDTLOSCI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds6

About 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone

2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104749852) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID104749852
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCCCCN(C)CC(=O)C1CCOC1
InChIInChI=1S/C11H21NO2/c1-3-4-6-12(2)8-11(13)10-5-7-14-9-10/h10H,3-9H2,1-2H3
InChIKeyVOASPHLDTLOSCI-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone (CID 104749852) is 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone is CCCCN(C)CC(=O)C1CCOC1.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is VOASPHLDTLOSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-6-12(2)8-11(13)10-5-7-14-9-10/h10H,3-9H2,1-2H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone?
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 199.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104749852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).