5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine

C12H20N2O — CID 112546541

IUPAC5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCc1ccc(C2CC(N)CN2C(C)C)o1
InChIInChI=1S/C12H20N2O/c1-8(2)14-7-10(13)6-11(14)12-5-4-9(3)15-12/h4-5,8,10-11H,6-7,13H2,1-3H3
InChIKeyZWAPSVVZFBIBHN-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.07
Rot. Bonds2

About 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine

5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 112546541) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID112546541
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCc1ccc(C2CC(N)CN2C(C)C)o1
InChIInChI=1S/C12H20N2O/c1-8(2)14-7-10(13)6-11(14)12-5-4-9(3)15-12/h4-5,8,10-11H,6-7,13H2,1-3H3
InChIKeyZWAPSVVZFBIBHN-UHFFFAOYSA-N
XLogP2.07
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine (CID 112546541) is 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine is Cc1ccc(C2CC(N)CN2C(C)C)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is ZWAPSVVZFBIBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)14-7-10(13)6-11(14)12-5-4-9(3)15-12/h4-5,8,10-11H,6-7,13H2,1-3H3.
What are the key properties of 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 208.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 112546541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).