1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine

C11H18N2O — CID 112709702

IUPAC1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCc1ccc(C2(C)C(N)CCN2C)o1
InChIInChI=1S/C11H18N2O/c1-8-4-5-10(14-8)11(2)9(12)6-7-13(11)3/h4-5,9H,6-7,12H2,1-3H3
InChIKeyDLRKQOARECGESK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.47
Rot. Bonds1

About 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine

1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine (PubChem CID 112709702) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine
PubChem CID112709702
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCc1ccc(C2(C)C(N)CCN2C)o1
InChIInChI=1S/C11H18N2O/c1-8-4-5-10(14-8)11(2)9(12)6-7-13(11)3/h4-5,9H,6-7,12H2,1-3H3
InChIKeyDLRKQOARECGESK-UHFFFAOYSA-N
XLogP1.47
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine (CID 112709702) is 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine is Cc1ccc(C2(C)C(N)CCN2C)o1.
What is the InChIKey of 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The InChIKey is DLRKQOARECGESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-4-5-10(14-8)11(2)9(12)6-7-13(11)3/h4-5,9H,6-7,12H2,1-3H3.
What are the key properties of 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine?
1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 112709702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).