(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane

C13H26N2O — CID 144942313

IUPAC(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
SMILESCC.CN1CC(C(=O)N2CCC(C)(C)C2)C1
InChIInChI=1S/C11H20N2O.C2H6/c1-11(2)4-5-13(8-11)10(14)9-6-12(3)7-9;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyGTHHNQGVDFPZBK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.83
Rot. Bonds1

About (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane

(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane (PubChem CID 144942313) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
PubChem CID144942313
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
SMILESCC.CN1CC(C(=O)N2CCC(C)(C)C2)C1
InChIInChI=1S/C11H20N2O.C2H6/c1-11(2)4-5-13(8-11)10(14)9-6-12(3)7-9;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyGTHHNQGVDFPZBK-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119781993
(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 115276519
(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 102706831
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 72861703
(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone
CID 127013160
2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511965
azetidin-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50951587
(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone
CID 171417283

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane (CID 144942313) is (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane is CC.CN1CC(C(=O)N2CCC(C)(C)C2)C1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane?
The InChIKey is GTHHNQGVDFPZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.C2H6/c1-11(2)4-5-13(8-11)10(14)9-6-12(3)7-9;1-2/h9H,4-8H2,1-3H3;1-2H3.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane?
(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane has a molecular weight of 226.36 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane is sourced from PubChem (CID 144942313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).