ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine

C13H29NO — CID 177010106

IUPACethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine
SMILESCC.CCN1CCCC1C(C)OC(C)C
InChIInChI=1S/C11H23NO.C2H6/c1-5-12-8-6-7-11(12)10(4)13-9(2)3;1-2/h9-11H,5-8H2,1-4H3;1-2H3
InChIKeyGPVDSIBXZFYICU-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.31
Rot. Bonds4

About ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine

ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine (PubChem CID 177010106) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine
PubChem CID177010106
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine
SMILESCC.CCN1CCCC1C(C)OC(C)C
InChIInChI=1S/C11H23NO.C2H6/c1-5-12-8-6-7-11(12)10(4)13-9(2)3;1-2/h9-11H,5-8H2,1-4H3;1-2H3
InChIKeyGPVDSIBXZFYICU-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
1-(1-ethylpyrrolidin-2-yl)ethanamine
CID 18672993
2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
CID 23318303
(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009745
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
2-(2-bromopropyl)-1-ethylpyrrolidine
CID 130533962
(2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine
CID 156512139
ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 176920826
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
1-ethyl-2-methyl-3-propan-2-ylpiperidine
CID 154952933
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine;methanol;(2S)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 172612732

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine (CID 177010106) is ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine is CC.CCN1CCCC1C(C)OC(C)C.
What is the InChIKey of ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is GPVDSIBXZFYICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-5-12-8-6-7-11(12)10(4)13-9(2)3;1-2/h9-11H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine?
ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 215.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 177010106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).