ethane;2-methylpyridine;pyridin-2-ylmethanamine

C16H27N3 — CID 158124738

IUPACethane;2-methylpyridine;pyridin-2-ylmethanamine
SMILESCC.CC.Cc1ccccn1.NCc1ccccn1
InChIInChI=1S/C6H8N2.C6H7N.2C2H6/c7-5-6-3-1-2-4-8-6;1-6-4-2-3-5-7-6;2*1-2/h1-4H,5,7H2;2-5H,1H3;2*1-2H3
InChIKeyFSAJFOHAVJNUBS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds1

About ethane;2-methylpyridine;pyridin-2-ylmethanamine

ethane;2-methylpyridine;pyridin-2-ylmethanamine (PubChem CID 158124738) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;2-methylpyridine;pyridin-2-ylmethanamine.

Molecular Properties

Compound Nameethane;2-methylpyridine;pyridin-2-ylmethanamine
PubChem CID158124738
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Nameethane;2-methylpyridine;pyridin-2-ylmethanamine
SMILESCC.CC.Cc1ccccn1.NCc1ccccn1
InChIInChI=1S/C6H8N2.C6H7N.2C2H6/c7-5-6-3-1-2-4-8-6;1-6-4-2-3-5-7-6;2*1-2/h1-4H,5,7H2;2-5H,1H3;2*1-2H3
InChIKeyFSAJFOHAVJNUBS-UHFFFAOYSA-N
XLogP3.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;pyridin-2-ylmethanamine
CID 90791011
2-ethylpyridine;2-methylpyridine
CID 19020939
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
butane;2-methylpyridine;propane
CID 171077595
CID 158064055
CID 158064055
ethane;2-methylpyridine;toluene
CID 143164268
magnesium;hydride;2-methylpyridine;hydroiodide
CID 174750573
2,2-dimethylpropane;2-methylpyridine
CID 159740552
dichloroplatinum;bis(2-methylpyridine)
CID 4034453
ethane;2-ethylpyridine
CID 91102000
dibromonickel;2-methylpyridine
CID 159872160
2-methylpyridine;pyridine
CID 19753594

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyridine;pyridin-2-ylmethanamine?
The IUPAC name of ethane;2-methylpyridine;pyridin-2-ylmethanamine (CID 158124738) is ethane;2-methylpyridine;pyridin-2-ylmethanamine.
What is the SMILES notation for ethane;2-methylpyridine;pyridin-2-ylmethanamine?
The canonical SMILES for ethane;2-methylpyridine;pyridin-2-ylmethanamine is CC.CC.Cc1ccccn1.NCc1ccccn1.
What is the InChIKey of ethane;2-methylpyridine;pyridin-2-ylmethanamine?
The InChIKey is FSAJFOHAVJNUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C6H7N.2C2H6/c7-5-6-3-1-2-4-8-6;1-6-4-2-3-5-7-6;2*1-2/h1-4H,5,7H2;2-5H,1H3;2*1-2H3.
What are the key properties of ethane;2-methylpyridine;pyridin-2-ylmethanamine?
ethane;2-methylpyridine;pyridin-2-ylmethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyridine;pyridin-2-ylmethanamine is sourced from PubChem (CID 158124738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).