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

C11H18N2O — CID 112546386

IUPAC[1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(C2CC(CN)CN2C)o1
InChIInChI=1S/C11H18N2O/c1-8-3-4-11(14-8)10-5-9(6-12)7-13(10)2/h3-4,9-10H,5-7,12H2,1-2H3
InChIKeyJMPCCMWDKMYZMI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.54
Rot. Bonds2

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

[1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 112546386) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID112546386
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(C2CC(CN)CN2C)o1
InChIInChI=1S/C11H18N2O/c1-8-3-4-11(14-8)10-5-9(6-12)7-13(10)2/h3-4,9-10H,5-7,12H2,1-2H3
InChIKeyJMPCCMWDKMYZMI-UHFFFAOYSA-N
XLogP1.54
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine (CID 112546386) is [1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine is Cc1ccc(C2CC(CN)CN2C)o1.
What is the InChIKey of [1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is JMPCCMWDKMYZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-3-4-11(14-8)10-5-9(6-12)7-13(10)2/h3-4,9-10H,5-7,12H2,1-2H3.
What are the key properties of [1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 112546386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).