2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine

C12H23NO — CID 117271043

IUPAC2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
SMILESCCC1(CC2CCCCO2)CCCN1
InChIInChI=1S/C12H23NO/c1-2-12(7-5-8-13-12)10-11-6-3-4-9-14-11/h11,13H,2-10H2,1H3
InChIKeyPDXOJUPYZRIVEY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds3

About 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine

2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine (PubChem CID 117271043) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
PubChem CID117271043
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
SMILESCCC1(CC2CCCCO2)CCCN1
InChIInChI=1S/C12H23NO/c1-2-12(7-5-8-13-12)10-11-6-3-4-9-14-11/h11,13H,2-10H2,1H3
InChIKeyPDXOJUPYZRIVEY-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 83073468
N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 83074640
2-ethyl-4-[(2-ethylpyrrolidin-2-yl)methyl]-1,4-oxazepane
CID 114218499
2-[2-(oxolan-2-yl)ethyl]-2-propylazepane
CID 79117021
2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072536
2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine
CID 104688234
2-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
CID 102007920
2-[[(2R)-2-methyloxolan-2-yl]methyl]oxane
CID 102007919
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 104594958
4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine
CID 83073727
4-[(2-ethylpyrrolidin-2-yl)methyl]morpholine
CID 83073154

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine (CID 117271043) is 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine is CCC1(CC2CCCCO2)CCCN1.
What is the InChIKey of 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine?
The InChIKey is PDXOJUPYZRIVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-12(7-5-8-13-12)10-11-6-3-4-9-14-11/h11,13H,2-10H2,1H3.
What are the key properties of 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine?
2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 117271043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).