ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine

C20H34N2 — CID 165410147

IUPACethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine
SMILESCC.CC.CN.Cc1ccccc1CCc1cccnc1C
InChIInChI=1S/C15H17N.2C2H6.CH5N/c1-12-6-3-4-7-14(12)9-10-15-8-5-11-16-13(15)2;3*1-2/h3-8,11H,9-10H2,1-2H3;2*1-2H3;2H2,1H3
InChIKeyCUXBJBWPWSRYEM-UHFFFAOYSA-N
MW302.51 g/mol
LogP5.11
Rot. Bonds3

About ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine

ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine (PubChem CID 165410147) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Nameethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine
PubChem CID165410147
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Nameethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine
SMILESCC.CC.CN.Cc1ccccc1CCc1cccnc1C
InChIInChI=1S/C15H17N.2C2H6.CH5N/c1-12-6-3-4-7-14(12)9-10-15-8-5-11-16-13(15)2;3*1-2/h3-8,11H,9-10H2,1-2H3;2*1-2H3;2H2,1H3
InChIKeyCUXBJBWPWSRYEM-UHFFFAOYSA-N
XLogP5.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-propylpyridine
CID 18662893
ethane;3-ethyl-2-methylpyridine
CID 143071594
3-(3-chloropropyl)-2-methylpyridine
CID 86128501
bis(2,3-dimethylpyridine);ethane
CID 159594018
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
3-heptyl-2-methylpyridine
CID 134369519
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
3-dodecyl-2-methylpyridine;hydrochloride
CID 175157533
1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane
CID 91413155
3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
CID 134129731
3-amino-N-[2-(2-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 103306499

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine?
The IUPAC name of ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine (CID 165410147) is ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine.
What is the SMILES notation for ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine?
The canonical SMILES for ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine is CC.CC.CN.Cc1ccccc1CCc1cccnc1C.
What is the InChIKey of ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine?
The InChIKey is CUXBJBWPWSRYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.2C2H6.CH5N/c1-12-6-3-4-7-14(12)9-10-15-8-5-11-16-13(15)2;3*1-2/h3-8,11H,9-10H2,1-2H3;2*1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine?
ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine has a molecular weight of 302.51 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 165410147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).