N-(5-methylfuran-2-yl)pyrrolidin-3-amine

C9H14N2O — CID 115118660

IUPACN-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCc1ccc(NC2CCNC2)o1
InChIInChI=1S/C9H14N2O/c1-7-2-3-9(12-7)11-8-4-5-10-6-8/h2-3,8,10-11H,4-6H2,1H3
InChIKeyZTRJKQZPAVXLJV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.36
Rot. Bonds2

About N-(5-methylfuran-2-yl)pyrrolidin-3-amine

N-(5-methylfuran-2-yl)pyrrolidin-3-amine (PubChem CID 115118660) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(5-methylfuran-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(5-methylfuran-2-yl)pyrrolidin-3-amine
PubChem CID115118660
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCc1ccc(NC2CCNC2)o1
InChIInChI=1S/C9H14N2O/c1-7-2-3-9(12-7)11-8-4-5-10-6-8/h2-3,8,10-11H,4-6H2,1H3
InChIKeyZTRJKQZPAVXLJV-UHFFFAOYSA-N
XLogP1.36
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The IUPAC name of N-(5-methylfuran-2-yl)pyrrolidin-3-amine (CID 115118660) is N-(5-methylfuran-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N-(5-methylfuran-2-yl)pyrrolidin-3-amine is Cc1ccc(NC2CCNC2)o1.
What is the InChIKey of N-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The InChIKey is ZTRJKQZPAVXLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-2-3-9(12-7)11-8-4-5-10-6-8/h2-3,8,10-11H,4-6H2,1H3.
What are the key properties of N-(5-methylfuran-2-yl)pyrrolidin-3-amine?
N-(5-methylfuran-2-yl)pyrrolidin-3-amine has a molecular weight of 166.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylfuran-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115118660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).