4-[2-methyl-2-(3-propylphenyl)propyl]pyridine

C18H23N — CID 166741280

IUPAC4-[2-methyl-2-(3-propylphenyl)propyl]pyridine
SMILESCCCc1cccc(C(C)(C)Cc2ccncc2)c1
InChIInChI=1S/C18H23N/c1-4-6-15-7-5-8-17(13-15)18(2,3)14-16-9-11-19-12-10-16/h5,7-13H,4,6,14H2,1-3H3
InChIKeyGGOATOOYOQECJN-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.55
Rot. Bonds5

About 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine

4-[2-methyl-2-(3-propylphenyl)propyl]pyridine (PubChem CID 166741280) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine.

Molecular Properties

Compound Name4-[2-methyl-2-(3-propylphenyl)propyl]pyridine
PubChem CID166741280
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-[2-methyl-2-(3-propylphenyl)propyl]pyridine
SMILESCCCc1cccc(C(C)(C)Cc2ccncc2)c1
InChIInChI=1S/C18H23N/c1-4-6-15-7-5-8-17(13-15)18(2,3)14-16-9-11-19-12-10-16/h5,7-13H,4,6,14H2,1-3H3
InChIKeyGGOATOOYOQECJN-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
CID 91471137
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
CID 105133909
1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
CID 114833794
3-(3-propylphenyl)pentan-3-ol
CID 116542305
1-methyl-4-[2-(3-propylphenyl)propan-2-yl]benzene
CID 123328001
4-[1-(4-tert-butylphenyl)-2-methylpropan-2-yl]pyridine
CID 170383941
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105188013
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
1-methoxy-2-(3-propylphenyl)propan-2-amine
CID 116542989
ethane;3-propylaniline;vanadium
CID 143596420

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine?
The IUPAC name of 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine (CID 166741280) is 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine.
What is the SMILES notation for 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine?
The canonical SMILES for 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine is CCCc1cccc(C(C)(C)Cc2ccncc2)c1.
What is the InChIKey of 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine?
The InChIKey is GGOATOOYOQECJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-6-15-7-5-8-17(13-15)18(2,3)14-16-9-11-19-12-10-16/h5,7-13H,4,6,14H2,1-3H3.
What are the key properties of 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine?
4-[2-methyl-2-(3-propylphenyl)propyl]pyridine has a molecular weight of 253.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-2-(3-propylphenyl)propyl]pyridine is sourced from PubChem (CID 166741280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).