[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

C11H17N3 — CID 16744274

IUPAC[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
SMILESCN1CC[C@@H](CN)[C@@H]1c1cccnc1
InChIInChI=1S/C11H17N3/c1-14-6-4-9(7-12)11(14)10-3-2-5-13-8-10/h2-3,5,8-9,11H,4,6-7,12H2,1H3/t9-,11+/m0/s1
InChIKeyIUMCSWXAFXSTAI-GXSJLCMTSA-N
MW191.28 g/mol
LogP1.03
Rot. Bonds2

About [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (PubChem CID 16744274) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
PubChem CID16744274
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
SMILESCN1CC[C@@H](CN)[C@@H]1c1cccnc1
InChIInChI=1S/C11H17N3/c1-14-6-4-9(7-12)11(14)10-3-2-5-13-8-10/h2-3,5,8-9,11H,4,6-7,12H2,1H3/t9-,11+/m0/s1
InChIKeyIUMCSWXAFXSTAI-GXSJLCMTSA-N
XLogP1.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (CID 16744274) is [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is CN1CC[C@@H](CN)[C@@H]1c1cccnc1.
What is the InChIKey of [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
The InChIKey is IUMCSWXAFXSTAI-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H17N3/c1-14-6-4-9(7-12)11(14)10-3-2-5-13-8-10/h2-3,5,8-9,11H,4,6-7,12H2,1H3/t9-,11+/m0/s1.
What are the key properties of [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 16744274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).