(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine

C10H15N3 — CID 39225703

IUPAC(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2ccncc2)C1
InChIInChI=1S/C10H15N3/c11-10-3-6-13(8-10)7-9-1-4-12-5-2-9/h1-2,4-5,10H,3,6-8,11H2/t10-/m0/s1
InChIKeyLJLZTYZVVKWARU-JTQLQIEISA-N
MW177.25 g/mol
LogP0.61
Rot. Bonds2

About (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine

(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 39225703) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
PubChem CID39225703
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2ccncc2)C1
InChIInChI=1S/C10H15N3/c11-10-3-6-13(8-10)7-9-1-4-12-5-2-9/h1-2,4-5,10H,3,6-8,11H2/t10-/m0/s1
InChIKeyLJLZTYZVVKWARU-JTQLQIEISA-N
XLogP0.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine (CID 39225703) is (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine is N[C@H]1CCN(Cc2ccncc2)C1.
What is the InChIKey of (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is LJLZTYZVVKWARU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15N3/c11-10-3-6-13(8-10)7-9-1-4-12-5-2-9/h1-2,4-5,10H,3,6-8,11H2/t10-/m0/s1.
What are the key properties of (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 177.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 39225703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).