[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine

C13H22N2O — CID 83219044

IUPAC[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCCC1CCC(C)N1Cc1ccc(CN)o1
InChIInChI=1S/C13H22N2O/c1-3-11-5-4-10(2)15(11)9-13-7-6-12(8-14)16-13/h6-7,10-11H,3-5,8-9,14H2,1-2H3
InChIKeyUIICRKLKLZOQLA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.50
Rot. Bonds4

About [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine

[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 83219044) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
PubChem CID83219044
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCCC1CCC(C)N1Cc1ccc(CN)o1
InChIInChI=1S/C13H22N2O/c1-3-11-5-4-10(2)15(11)9-13-7-6-12(8-14)16-13/h6-7,10-11H,3-5,8-9,14H2,1-2H3
InChIKeyUIICRKLKLZOQLA-UHFFFAOYSA-N
XLogP2.50
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine (CID 83219044) is [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine is CCC1CCC(C)N1Cc1ccc(CN)o1.
What is the InChIKey of [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is UIICRKLKLZOQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11-5-4-10(2)15(11)9-13-7-6-12(8-14)16-13/h6-7,10-11H,3-5,8-9,14H2,1-2H3.
What are the key properties of [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 83219044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).