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

C12H23NO2 — CID 104749882

IUPAC2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCCCCN(CC)CC(=O)C1CCOC1
InChIInChI=1S/C12H23NO2/c1-3-5-7-13(4-2)9-12(14)11-6-8-15-10-11/h11H,3-10H2,1-2H3
InChIKeyNHJLMCUKYQGKID-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds7

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

2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104749882) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID104749882
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCCCCN(CC)CC(=O)C1CCOC1
InChIInChI=1S/C12H23NO2/c1-3-5-7-13(4-2)9-12(14)11-6-8-15-10-11/h11H,3-10H2,1-2H3
InChIKeyNHJLMCUKYQGKID-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone (CID 104749882) is 2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone is CCCCN(CC)CC(=O)C1CCOC1.
What is the InChIKey of 2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is NHJLMCUKYQGKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-7-13(4-2)9-12(14)11-6-8-15-10-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone?
2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 213.32 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104749882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).