2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine

C21H29N — CID 57295070

IUPAC2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine
SMILESCCC(CCC(c1ccccc1)c1ccccn1)C(C)(C)C
InChIInChI=1S/C21H29N/c1-5-18(21(2,3)4)14-15-19(17-11-7-6-8-12-17)20-13-9-10-16-22-20/h6-13,16,18-19H,5,14-15H2,1-4H3
InChIKeyZJPBWMFWGOVEHG-UHFFFAOYSA-N
MW295.47 g/mol
LogP6.07
Rot. Bonds6

About 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine

2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine (PubChem CID 57295070) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine.

Molecular Properties

Compound Name2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine
PubChem CID57295070
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine
SMILESCCC(CCC(c1ccccc1)c1ccccn1)C(C)(C)C
InChIInChI=1S/C21H29N/c1-5-18(21(2,3)4)14-15-19(17-11-7-6-8-12-17)20-13-9-10-16-22-20/h6-13,16,18-19H,5,14-15H2,1-4H3
InChIKeyZJPBWMFWGOVEHG-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
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4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
CID 138980750
2,2-dimethyl-N-(2-phenyl-2-pyridin-2-ylethyl)propanamide
CID 16927739
4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
CID 90681228
cumene;ethane;2-propan-2-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine?
The IUPAC name of 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine (CID 57295070) is 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine.
What is the SMILES notation for 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine?
The canonical SMILES for 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine is CCC(CCC(c1ccccc1)c1ccccn1)C(C)(C)C.
What is the InChIKey of 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine?
The InChIKey is ZJPBWMFWGOVEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-5-18(21(2,3)4)14-15-19(17-11-7-6-8-12-17)20-13-9-10-16-22-20/h6-13,16,18-19H,5,14-15H2,1-4H3.
What are the key properties of 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine?
2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine has a molecular weight of 295.47 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine is sourced from PubChem (CID 57295070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).