(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine

C9H13N3 — CID 129493482

IUPAC(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1c1ccncc1
InChIInChI=1S/C9H13N3/c10-9-6-12-5-8(9)7-1-3-11-4-2-7/h1-4,8-9,12H,5-6,10H2/t8-,9-/m0/s1
InChIKeyNUODDMJCCNRSJE-IUCAKERBSA-N
MW163.22 g/mol
LogP0.10
Rot. Bonds1

About (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine

(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine (PubChem CID 129493482) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine
PubChem CID129493482
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1c1ccncc1
InChIInChI=1S/C9H13N3/c10-9-6-12-5-8(9)7-1-3-11-4-2-7/h1-4,8-9,12H,5-6,10H2/t8-,9-/m0/s1
InChIKeyNUODDMJCCNRSJE-IUCAKERBSA-N
XLogP0.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine (CID 129493482) is (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine is N[C@H]1CNC[C@H]1c1ccncc1.
What is the InChIKey of (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine?
The InChIKey is NUODDMJCCNRSJE-IUCAKERBSA-N. The full InChI is InChI=1S/C9H13N3/c10-9-6-12-5-8(9)7-1-3-11-4-2-7/h1-4,8-9,12H,5-6,10H2/t8-,9-/m0/s1.
What are the key properties of (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine?
(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine has a molecular weight of 163.22 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine is sourced from PubChem (CID 129493482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).