4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine

C50H74N4O2 — CID 159815485

IUPAC4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccccc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.Cn1cc(CC(C)(C)C)ccc1=O.Cn1ccc(CC(C)(C)C)cc1=O
InChIInChI=1S/2C11H17NO.C10H14.2C9H13N/c1-11(2,3)8-9-5-6-12(4)10(13)7-9;1-11(2,3)7-9-5-6-10(13)12(4)8-9;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9/h5-7H,8H2,1-4H3;5-6,8H,7H2,1-4H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3
InChIKeyNLOGPIPBDUJPKD-UHFFFAOYSA-N
MW763.17 g/mol
LogP11.39
Rot. Bonds8

About 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine

4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine (PubChem CID 159815485) has the molecular formula C50H74N4O2 and a molecular weight of 763.17 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
PubChem CID159815485
Molecular FormulaC50H74N4O2
Molecular Weight763.17 g/mol
Exact Mass762.58
IUPAC Name4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccccc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.Cn1cc(CC(C)(C)C)ccc1=O.Cn1ccc(CC(C)(C)C)cc1=O
InChIInChI=1S/2C11H17NO.C10H14.2C9H13N/c1-11(2,3)8-9-5-6-12(4)10(13)7-9;1-11(2,3)7-9-5-6-10(13)12(4)8-9;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9/h5-7H,8H2,1-4H3;5-6,8H,7H2,1-4H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3
InChIKeyNLOGPIPBDUJPKD-UHFFFAOYSA-N
XLogP11.39
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.17
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine with MolForge

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Related Compounds

methane;3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine
CID 157460138
3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine
CID 162085820
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one
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CID 67988444
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene
CID 178168043
3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one
CID 54024635
4-(2,2-dimethylpropyl)pyridine
CID 22960904
3-pyridin-3-ylpropyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 124528117
bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine
CID 159695001

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine (CID 159815485) is 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine is CC(C)Cc1ccccc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.Cn1cc(CC(C)(C)C)ccc1=O.Cn1ccc(CC(C)(C)C)cc1=O.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?
The InChIKey is NLOGPIPBDUJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17NO.C10H14.2C9H13N/c1-11(2,3)8-9-5-6-12(4)10(13)7-9;1-11(2,3)7-9-5-6-10(13)12(4)8-9;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9/h5-7H,8H2,1-4H3;5-6,8H,7H2,1-4H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?
4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine has a molecular weight of 763.17 g/mol, XLogP of 11.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-methylpyridin-2-one;5-(2,2-dimethylpropyl)-1-methylpyridin-2-one;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine is sourced from PubChem (CID 159815485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).