ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine

C11H25NO — CID 176920826

IUPACethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
SMILESCC.CCOC(C)C1CCCN1C
InChIInChI=1S/C9H19NO.C2H6/c1-4-11-8(2)9-6-5-7-10(9)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyAWUBEVRTYOSROU-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.53
Rot. Bonds3

About ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine

ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine (PubChem CID 176920826) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Nameethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
PubChem CID176920826
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
SMILESCC.CCOC(C)C1CCCN1C
InChIInChI=1S/C9H19NO.C2H6/c1-4-11-8(2)9-6-5-7-10(9)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyAWUBEVRTYOSROU-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine
CID 176961339
(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
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(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
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(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 165045426
ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine
CID 168995701
ethane;methane;tetrakis([(2S)-1-methylpyrrolidin-2-yl]methanediol);tetrakis([(2R)-1-methylpyrrolidin-2-yl]methanediol)
CID 159344358
(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
CID 168995661
1-methyl-2-(2-methylpentan-3-yl)piperidine
CID 167033020
1-(1-methylpyrrolidin-2-yl)ethyl prop-2-enoate
CID 175306856
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
(2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine
CID 177009437
ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177010106

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine?
The IUPAC name of ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine (CID 176920826) is ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine.
What is the SMILES notation for ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine?
The canonical SMILES for ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine is CC.CCOC(C)C1CCCN1C.
What is the InChIKey of ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine?
The InChIKey is AWUBEVRTYOSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-4-11-8(2)9-6-5-7-10(9)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine?
ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine has a molecular weight of 187.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine is sourced from PubChem (CID 176920826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).