(1S)-1-(2-methyl-3-pyridinyl)ethanamine

C8H12N2 — CID 94864826

IUPAC(1S)-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCc1ncccc1[C@H](C)N
InChIInChI=1S/C8H12N2/c1-6(9)8-4-3-5-10-7(8)2/h3-6H,9H2,1-2H3/t6-/m0/s1
InChIKeyLWIWISPHEYROCV-LURJTMIESA-N
MW136.20 g/mol
LogP1.41
Rot. Bonds1

About (1S)-1-(2-methyl-3-pyridinyl)ethanamine

(1S)-1-(2-methyl-3-pyridinyl)ethanamine (PubChem CID 94864826) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (1S)-1-(2-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methyl-3-pyridinyl)ethanamine
PubChem CID94864826
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(1S)-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCc1ncccc1[C@H](C)N
InChIInChI=1S/C8H12N2/c1-6(9)8-4-3-5-10-7(8)2/h3-6H,9H2,1-2H3/t6-/m0/s1
InChIKeyLWIWISPHEYROCV-LURJTMIESA-N
XLogP1.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(2-methyl-3-pyridinyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
(2S)-2-amino-2-(2-methyl-3-pyridinyl)ethanol
CID 55263472
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
CID 123838969
3-[(1S)-1-aminoethyl]-N-methylpyridin-2-amine
CID 130738864
3-ethyl-1-(2-methyl-3-pyridinyl)pentan-1-amine
CID 105176719
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
CID 130671700
(1R)-1-quinolin-5-ylethanamine
CID 55277010
1-(2-ethynyl-3-pyridinyl)ethanamine
CID 74788747
3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol
CID 105076232

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methyl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(2-methyl-3-pyridinyl)ethanamine (CID 94864826) is (1S)-1-(2-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(2-methyl-3-pyridinyl)ethanamine is Cc1ncccc1[C@H](C)N.
What is the InChIKey of (1S)-1-(2-methyl-3-pyridinyl)ethanamine?
The InChIKey is LWIWISPHEYROCV-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2/c1-6(9)8-4-3-5-10-7(8)2/h3-6H,9H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2-methyl-3-pyridinyl)ethanamine?
(1S)-1-(2-methyl-3-pyridinyl)ethanamine has a molecular weight of 136.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 94864826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).