1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine

C11H18N2O — CID 103575099

IUPAC1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(C(C)c2ccco2)CC1N
InChIInChI=1S/C11H18N2O/c1-8-6-13(7-10(8)12)9(2)11-4-3-5-14-11/h3-5,8-10H,6-7,12H2,1-2H3
InChIKeyIJMZYIKBPCETTC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.62
Rot. Bonds2

About 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine

1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine (PubChem CID 103575099) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine
PubChem CID103575099
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(C(C)c2ccco2)CC1N
InChIInChI=1S/C11H18N2O/c1-8-6-13(7-10(8)12)9(2)11-4-3-5-14-11/h3-5,8-10H,6-7,12H2,1-2H3
InChIKeyIJMZYIKBPCETTC-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine (CID 103575099) is 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine is CC1CN(C(C)c2ccco2)CC1N.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine?
The InChIKey is IJMZYIKBPCETTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-6-13(7-10(8)12)9(2)11-4-3-5-14-11/h3-5,8-10H,6-7,12H2,1-2H3.
What are the key properties of 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine?
1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).