(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine

C17H23N3O — CID 97108049

IUPAC(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCCc1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)o1
InChIInChI=1S/C17H23N3O/c1-3-15-7-8-16(21-15)13(2)19-14-9-11-20(12-14)17-6-4-5-10-18-17/h4-8,10,13-14,19H,3,9,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyWJYVHESVGMNIEM-KBPBESRZSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds5

About (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine

(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine (PubChem CID 97108049) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
PubChem CID97108049
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCCc1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)o1
InChIInChI=1S/C17H23N3O/c1-3-15-7-8-16(21-15)13(2)19-14-9-11-20(12-14)17-6-4-5-10-18-17/h4-8,10,13-14,19H,3,9,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyWJYVHESVGMNIEM-KBPBESRZSA-N
XLogP3.17
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine (CID 97108049) is (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine is CCc1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)o1.
What is the InChIKey of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The InChIKey is WJYVHESVGMNIEM-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-15-7-8-16(21-15)13(2)19-14-9-11-20(12-14)17-6-4-5-10-18-17/h4-8,10,13-14,19H,3,9,11-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 97108049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).