2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone

C9H18N2O — CID 131129467

IUPAC2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CC(C)(C)C1
InChIInChI=1S/C9H18N2O/c1-9(2)6-11(7-9)8(12)5-10(3)4/h5-7H2,1-4H3
InChIKeyZDVOXFJLCOHECM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds2

About 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone

2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone (PubChem CID 131129467) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone
PubChem CID131129467
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CC(C)(C)C1
InChIInChI=1S/C9H18N2O/c1-9(2)6-11(7-9)8(12)5-10(3)4/h5-7H2,1-4H3
InChIKeyZDVOXFJLCOHECM-UHFFFAOYSA-N
XLogP0.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
3-(3,3-dimethylazetidin-1-yl)-3-oxopropanenitrile
CID 130659310
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CID 90369802
2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 127000154
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(dimethylamino)ethanone
CID 91175888
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 165469087
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118
2-(dimethylamino)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 56751090

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone (CID 131129467) is 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone is CN(C)CC(=O)N1CC(C)(C)C1.
What is the InChIKey of 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone?
The InChIKey is ZDVOXFJLCOHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2)6-11(7-9)8(12)5-10(3)4/h5-7H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone?
2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone is sourced from PubChem (CID 131129467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).