ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine

C12H26N2 — CID 170581839

IUPACethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
SMILESCC.CCN1CCC(C2CN(C)C2)C1
InChIInChI=1S/C10H20N2.C2H6/c1-3-12-5-4-9(8-12)10-6-11(2)7-10;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyCYZOITWOFONFBZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.92
Rot. Bonds2

About ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine

ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine (PubChem CID 170581839) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
PubChem CID170581839
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
SMILESCC.CCN1CCC(C2CN(C)C2)C1
InChIInChI=1S/C10H20N2.C2H6/c1-3-12-5-4-9(8-12)10-6-11(2)7-10;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyCYZOITWOFONFBZ-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
1-ethyl-4-(1-methylpiperidin-4-yl)piperidine
CID 70910959
1-ethyl-3-(oxiran-2-yl)pyrrolidine
CID 102567830
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 15758755
5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 162741705
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
1,3-diethylpyrrolidine;ethane
CID 145103245
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine?
The IUPAC name of ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine (CID 170581839) is ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine.
What is the SMILES notation for ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine?
The canonical SMILES for ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine is CC.CCN1CCC(C2CN(C)C2)C1.
What is the InChIKey of ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine?
The InChIKey is CYZOITWOFONFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-3-12-5-4-9(8-12)10-6-11(2)7-10;1-2/h9-10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine?
ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine has a molecular weight of 198.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine is sourced from PubChem (CID 170581839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).