2-(dipropylamino)-1-(oxolan-3-yl)ethanone

C12H23NO2 — CID 104749952

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

About 2-(dipropylamino)-1-(oxolan-3-yl)ethanone

2-(dipropylamino)-1-(oxolan-3-yl)ethanone (PubChem CID 104749952) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(dipropylamino)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(dipropylamino)-1-(oxolan-3-yl)ethanone
PubChem CID104749952
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(dipropylamino)-1-(oxolan-3-yl)ethanone
SMILESCCCN(CCC)CC(=O)C1CCOC1
InChIInChI=1S/C12H23NO2/c1-3-6-13(7-4-2)9-12(14)11-5-8-15-10-11/h11H,3-10H2,1-2H3
InChIKeyRSNOZXUDSKFMOP-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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Related Compounds

2-[Methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750089
2-[Ethyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750244
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750253
1-(Oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 104750256
1-(Oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 104750258
2-[Methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750882
1-(Oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 104750885
1-(Oxolan-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 104750887
2-[2,2-Difluoroethyl(methyl)amino]-1-(oxolan-3-yl)ethanone
CID 116315862
2-(3,3-Difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone
CID 130657354
2-(3-Fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethan-1-one
CID 164657956
2-(3-Fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethan-1-one
CID 164659307

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(dipropylamino)-1-(oxolan-3-yl)ethanone (CID 104749952) is 2-(dipropylamino)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(dipropylamino)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(dipropylamino)-1-(oxolan-3-yl)ethanone is CCCN(CCC)CC(=O)C1CCOC1.
What is the InChIKey of 2-(dipropylamino)-1-(oxolan-3-yl)ethanone?
The InChIKey is RSNOZXUDSKFMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-6-13(7-4-2)9-12(14)11-5-8-15-10-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-(dipropylamino)-1-(oxolan-3-yl)ethanone?
2-(dipropylamino)-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-(dipropylamino)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104749952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).