(3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane

C13H26N2O — CID 144942230

IUPAC(3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane
SMILESCC.CC1(C)CCN(C(=O)[C@]2(C)CCN2)C1
InChIInChI=1S/C11H20N2O.C2H6/c1-10(2)5-7-13(8-10)9(14)11(3)4-6-12-11;1-2/h12H,4-8H2,1-3H3;1-2H3/t11-;/m0./s1
InChIKeyFBSLZDVPEWNUEK-MERQFXBCSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds1

About (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane

(3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane (PubChem CID 144942230) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane
PubChem CID144942230
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane
SMILESCC.CC1(C)CCN(C(=O)[C@]2(C)CCN2)C1
InChIInChI=1S/C11H20N2O.C2H6/c1-10(2)5-7-13(8-10)9(14)11(3)4-6-12-11;1-2/h12H,4-8H2,1-3H3;1-2H3/t11-;/m0./s1
InChIKeyFBSLZDVPEWNUEK-MERQFXBCSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 104596814
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 104597039
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120932230
(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 107217478
(2R)-2-amino-2-cyclopropyl-1-(3,3-dimethylpyrrolidin-1-yl)ethanone;ethane
CID 144942279
1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 104937026
2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
CID 142306561
1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119781999

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane (CID 144942230) is (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane is CC.CC1(C)CCN(C(=O)[C@]2(C)CCN2)C1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane?
The InChIKey is FBSLZDVPEWNUEK-MERQFXBCSA-N. The full InChI is InChI=1S/C11H20N2O.C2H6/c1-10(2)5-7-13(8-10)9(14)11(3)4-6-12-11;1-2/h12H,4-8H2,1-3H3;1-2H3/t11-;/m0./s1.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane?
(3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane has a molecular weight of 226.36 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane is sourced from PubChem (CID 144942230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).