ethane;3-methylhexane;2-(3-methylphenyl)pyridine

C23H39N — CID 142164843

IUPACethane;3-methylhexane;2-(3-methylphenyl)pyridine
SMILESCC.CC.CCCC(C)CC.Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C12H11N.C7H16.2C2H6/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-4-6-7(3)5-2;2*1-2/h2-9H,1H3;7H,4-6H2,1-3H3;2*1-2H3
InChIKeyXSVYXFOQKMFNLN-UHFFFAOYSA-N
MW329.57 g/mol
LogP7.94
Rot. Bonds4

About ethane;3-methylhexane;2-(3-methylphenyl)pyridine

ethane;3-methylhexane;2-(3-methylphenyl)pyridine (PubChem CID 142164843) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is ethane;3-methylhexane;2-(3-methylphenyl)pyridine.

Molecular Properties

Compound Nameethane;3-methylhexane;2-(3-methylphenyl)pyridine
PubChem CID142164843
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Nameethane;3-methylhexane;2-(3-methylphenyl)pyridine
SMILESCC.CC.CCCC(C)CC.Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C12H11N.C7H16.2C2H6/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-4-6-7(3)5-2;2*1-2/h2-9H,1H3;7H,4-6H2,1-3H3;2*1-2H3
InChIKeyXSVYXFOQKMFNLN-UHFFFAOYSA-N
XLogP7.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
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2-(3-octan-2-ylphenyl)pyridine
CID 76764597
2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
CID 172795269
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
N-ethyl-1-(3-pyridin-2-ylphenyl)propan-1-amine
CID 63678693
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylhexane;2-(3-methylphenyl)pyridine?
The IUPAC name of ethane;3-methylhexane;2-(3-methylphenyl)pyridine (CID 142164843) is ethane;3-methylhexane;2-(3-methylphenyl)pyridine.
What is the SMILES notation for ethane;3-methylhexane;2-(3-methylphenyl)pyridine?
The canonical SMILES for ethane;3-methylhexane;2-(3-methylphenyl)pyridine is CC.CC.CCCC(C)CC.Cc1cccc(-c2ccccn2)c1.
What is the InChIKey of ethane;3-methylhexane;2-(3-methylphenyl)pyridine?
The InChIKey is XSVYXFOQKMFNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C7H16.2C2H6/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-4-6-7(3)5-2;2*1-2/h2-9H,1H3;7H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3-methylhexane;2-(3-methylphenyl)pyridine?
ethane;3-methylhexane;2-(3-methylphenyl)pyridine has a molecular weight of 329.57 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylhexane;2-(3-methylphenyl)pyridine is sourced from PubChem (CID 142164843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).