[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine

C13H22N2O3 — CID 103539992

IUPAC[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
SMILESCOC1CN(Cc2cc(CN)c(C)o2)CC1OC
InChIInChI=1S/C13H22N2O3/c1-9-10(5-14)4-11(18-9)6-15-7-12(16-2)13(8-15)17-3/h4,12-13H,5-8,14H2,1-3H3
InChIKeyXJNIFEGLKPIYMB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.89
Rot. Bonds5

About [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine

[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine (PubChem CID 103539992) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
PubChem CID103539992
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
SMILESCOC1CN(Cc2cc(CN)c(C)o2)CC1OC
InChIInChI=1S/C13H22N2O3/c1-9-10(5-14)4-11(18-9)6-15-7-12(16-2)13(8-15)17-3/h4,12-13H,5-8,14H2,1-3H3
InChIKeyXJNIFEGLKPIYMB-UHFFFAOYSA-N
XLogP0.89
TPSA60.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine (CID 103539992) is [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine is COC1CN(Cc2cc(CN)c(C)o2)CC1OC.
What is the InChIKey of [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine?
The InChIKey is XJNIFEGLKPIYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-10(5-14)4-11(18-9)6-15-7-12(16-2)13(8-15)17-3/h4,12-13H,5-8,14H2,1-3H3.
What are the key properties of [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine?
[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 103539992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).