[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine

C13H22N2O2 — CID 64581199

IUPAC[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine
SMILESCOCC1CCN(Cc2cc(CN)c(C)o2)C1
InChIInChI=1S/C13H22N2O2/c1-10-12(6-14)5-13(17-10)8-15-4-3-11(7-15)9-16-2/h5,11H,3-4,6-9,14H2,1-2H3
InChIKeyAZXCGSBJGFMFHM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.52
Rot. Bonds5

About [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine

[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine (PubChem CID 64581199) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine
PubChem CID64581199
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine
SMILESCOCC1CCN(Cc2cc(CN)c(C)o2)C1
InChIInChI=1S/C13H22N2O2/c1-10-12(6-14)5-13(17-10)8-15-4-3-11(7-15)9-16-2/h5,11H,3-4,6-9,14H2,1-2H3
InChIKeyAZXCGSBJGFMFHM-UHFFFAOYSA-N
XLogP1.52
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428192
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 64582400
[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 103539992
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine
CID 114199079
methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62063570
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 64598988
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 64581399
[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62424178
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine
CID 106590010

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine (CID 64581199) is [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine is COCC1CCN(Cc2cc(CN)c(C)o2)C1.
What is the InChIKey of [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine?
The InChIKey is AZXCGSBJGFMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-12(6-14)5-13(17-10)8-15-4-3-11(7-15)9-16-2/h5,11H,3-4,6-9,14H2,1-2H3.
What are the key properties of [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine?
[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 64581199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).