1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine

C11H22N2O — CID 164648979

IUPAC1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine
SMILESCOC1CNCC1CN1CCCC1C
InChIInChI=1S/C11H22N2O/c1-9-4-3-5-13(9)8-10-6-12-7-11(10)14-2/h9-12H,3-8H2,1-2H3
InChIKeyRZPVTNDRQNKOGJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds3

About 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine

1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine (PubChem CID 164648979) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine
PubChem CID164648979
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine
SMILESCOC1CNCC1CN1CCCC1C
InChIInChI=1S/C11H22N2O/c1-9-4-3-5-13(9)8-10-6-12-7-11(10)14-2/h9-12H,3-8H2,1-2H3
InChIKeyRZPVTNDRQNKOGJ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
CID 115335791
N-[(4-methoxypyrrolidin-3-yl)methyl]ethanamine
CID 53885688
1-(4-methoxypyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 54249962
1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 54533123
(3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850632
5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 77053377
3-(3-Methoxypyrrolidin-1-yl)pentan-1-amine
CID 103531175
[1-[1-[4-(Aminomethyl)-1-propan-2-ylpyrrolidin-3-yl]oxypropan-2-yl]pyrrolidin-3-yl]methanamine
CID 130204017
(3aR,6aR)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 135346660
3-Ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine
CID 143486039
(6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 152934805
(2R)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine
CID 163822436

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine?
The IUPAC name of 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine (CID 164648979) is 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine is COC1CNCC1CN1CCCC1C.
What is the InChIKey of 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine?
The InChIKey is RZPVTNDRQNKOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-4-3-5-13(9)8-10-6-12-7-11(10)14-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine?
1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 164648979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).