4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine

C22H25N — CID 145320476

IUPAC4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine
SMILESCCC(C)(C)c1ccc2ccccc2c1-c1cc(C)c(C)cn1
InChIInChI=1S/C22H25N/c1-6-22(4,5)19-12-11-17-9-7-8-10-18(17)21(19)20-13-15(2)16(3)14-23-20/h7-14H,6H2,1-5H3
InChIKeyMQWWABJROUGNLY-UHFFFAOYSA-N
MW303.45 g/mol
LogP6.21
Rot. Bonds3

About 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine

4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine (PubChem CID 145320476) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine
PubChem CID145320476
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine
SMILESCCC(C)(C)c1ccc2ccccc2c1-c1cc(C)c(C)cn1
InChIInChI=1S/C22H25N/c1-6-22(4,5)19-12-11-17-9-7-8-10-18(17)21(19)20-13-15(2)16(3)14-23-20/h7-14H,6H2,1-5H3
InChIKeyMQWWABJROUGNLY-UHFFFAOYSA-N
XLogP6.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine
CID 167209121
2-[6-(4,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4,5-dimethylpyridine
CID 15882770
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
3-methyl-5-(2-methylnaphthalen-1-yl)pyridin-2-amine
CID 83170171
triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane
CID 134843616
[3-methyl-2-[2-methyl-3,5-bis(2-methylbutan-2-yl)-6-phenoxyphosphanyloxyphenyl]-4,6-bis(2-methylbutan-2-yl)phenoxy]-phenoxyphosphane
CID 21130808
5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine
CID 139352142
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine
CID 129022095
2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol
CID 171778200
1,2-dimethylnaphthalene;ethane;propane
CID 90958253

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine?
The IUPAC name of 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine (CID 145320476) is 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine.
What is the SMILES notation for 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine?
The canonical SMILES for 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine is CCC(C)(C)c1ccc2ccccc2c1-c1cc(C)c(C)cn1.
What is the InChIKey of 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine?
The InChIKey is MQWWABJROUGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-6-22(4,5)19-12-11-17-9-7-8-10-18(17)21(19)20-13-15(2)16(3)14-23-20/h7-14H,6H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine?
4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine has a molecular weight of 303.45 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[2-(2-methylbutan-2-yl)naphthalen-1-yl]pyridine is sourced from PubChem (CID 145320476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).