(1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine

C13H21N3 — CID 83127057

IUPAC(1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCCC2(C)C)cn1
InChIInChI=1S/C13H21N3/c1-10(14)12-6-5-11(9-15-12)16-8-4-7-13(16,2)3/h5-6,9-10H,4,7-8,14H2,1-3H3/t10-/m0/s1
InChIKeyMBKRGIDYCBEIQC-JTQLQIEISA-N
MW219.33 g/mol
LogP2.48
Rot. Bonds2

About (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine

(1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83127057) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine
PubChem CID83127057
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCCC2(C)C)cn1
InChIInChI=1S/C13H21N3/c1-10(14)12-6-5-11(9-15-12)16-8-4-7-13(16,2)3/h5-6,9-10H,4,7-8,14H2,1-3H3/t10-/m0/s1
InChIKeyMBKRGIDYCBEIQC-JTQLQIEISA-N
XLogP2.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine (CID 83127057) is (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(N2CCCC2(C)C)cn1.
What is the InChIKey of (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is MBKRGIDYCBEIQC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3/c1-10(14)12-6-5-11(9-15-12)16-8-4-7-13(16,2)3/h5-6,9-10H,4,7-8,14H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine?
(1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).