3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine

C13H26N2O — CID 120901494

IUPAC3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCCOCC1CCN(CC2(C)CCNC2)C1
InChIInChI=1S/C13H26N2O/c1-3-16-9-12-4-7-15(8-12)11-13(2)5-6-14-10-13/h12,14H,3-11H2,1-2H3
InChIKeyPNRVUJZZESORPO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds5

About 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine

3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine (PubChem CID 120901494) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
PubChem CID120901494
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCCOCC1CCN(CC2(C)CCNC2)C1
InChIInChI=1S/C13H26N2O/c1-3-16-9-12-4-7-15(8-12)11-13(2)5-6-14-10-13/h12,14H,3-11H2,1-2H3
InChIKeyPNRVUJZZESORPO-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900572
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 120901182
N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 63536783
ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate
CID 120898616
2-(cyclopropylmethoxymethyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120904715
3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
CID 63979023
2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 120899327
1-[(3-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpyrrolidine
CID 130979190
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899331

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The IUPAC name of 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine (CID 120901494) is 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The canonical SMILES for 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine is CCOCC1CCN(CC2(C)CCNC2)C1.
What is the InChIKey of 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The InChIKey is PNRVUJZZESORPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-16-9-12-4-7-15(8-12)11-13(2)5-6-14-10-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine?
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 120901494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).