1-pyridin-3-ylpyrrolidin-2-amine

C9H13N3 — CID 54403911

IUPAC1-pyridin-3-ylpyrrolidin-2-amine
SMILESNC1CCCN1c1cccnc1
InChIInChI=1S/C9H13N3/c10-9-4-2-6-12(9)8-3-1-5-11-7-8/h1,3,5,7,9H,2,4,6,10H2
InChIKeyVPIKGLOJIWPHCK-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.97
Rot. Bonds1

About 1-pyridin-3-ylpyrrolidin-2-amine

1-pyridin-3-ylpyrrolidin-2-amine (PubChem CID 54403911) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-pyridin-3-ylpyrrolidin-2-amine.

Molecular Properties

Compound Name1-pyridin-3-ylpyrrolidin-2-amine
PubChem CID54403911
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-pyridin-3-ylpyrrolidin-2-amine
SMILESNC1CCCN1c1cccnc1
InChIInChI=1S/C9H13N3/c10-9-4-2-6-12(9)8-3-1-5-11-7-8/h1,3,5,7,9H,2,4,6,10H2
InChIKeyVPIKGLOJIWPHCK-UHFFFAOYSA-N
XLogP0.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpyrrolidin-2-amine?
The IUPAC name of 1-pyridin-3-ylpyrrolidin-2-amine (CID 54403911) is 1-pyridin-3-ylpyrrolidin-2-amine.
What is the SMILES notation for 1-pyridin-3-ylpyrrolidin-2-amine?
The canonical SMILES for 1-pyridin-3-ylpyrrolidin-2-amine is NC1CCCN1c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylpyrrolidin-2-amine?
The InChIKey is VPIKGLOJIWPHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-9-4-2-6-12(9)8-3-1-5-11-7-8/h1,3,5,7,9H,2,4,6,10H2.
What are the key properties of 1-pyridin-3-ylpyrrolidin-2-amine?
1-pyridin-3-ylpyrrolidin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpyrrolidin-2-amine is sourced from PubChem (CID 54403911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).