2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine

C8H14N2 — CID 173495334

IUPAC2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine
SMILESC[C@@]1(CCN)CC=CC=N1
InChIInChI=1S/C8H14N2/c1-8(5-6-9)4-2-3-7-10-8/h2-3,7H,4-6,9H2,1H3/t8-/m0/s1
InChIKeyYTRFDVFVKAKHIO-QMMMGPOBSA-N
MW138.21 g/mol
LogP1.12
Rot. Bonds2

About 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine

2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine (PubChem CID 173495334) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine
PubChem CID173495334
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine
SMILESC[C@@]1(CCN)CC=CC=N1
InChIInChI=1S/C8H14N2/c1-8(5-6-9)4-2-3-7-10-8/h2-3,7H,4-6,9H2,1H3/t8-/m0/s1
InChIKeyYTRFDVFVKAKHIO-QMMMGPOBSA-N
XLogP1.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine?
The IUPAC name of 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine (CID 173495334) is 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine is C[C@@]1(CCN)CC=CC=N1.
What is the InChIKey of 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine?
The InChIKey is YTRFDVFVKAKHIO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(5-6-9)4-2-3-7-10-8/h2-3,7H,4-6,9H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine?
2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine is sourced from PubChem (CID 173495334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).