3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine

C20H27N — CID 19783340

IUPAC3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine
SMILESCCc1cnccc1C(CCc1ccccc1)CC(C)C
InChIInChI=1S/C20H27N/c1-4-18-15-21-13-12-20(18)19(14-16(2)3)11-10-17-8-6-5-7-9-17/h5-9,12-13,15-16,19H,4,10-11,14H2,1-3H3
InChIKeyUHOQQSIAKLICJA-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.41
Rot. Bonds7

About 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine

3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine (PubChem CID 19783340) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine.

Molecular Properties

Compound Name3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine
PubChem CID19783340
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine
SMILESCCc1cnccc1C(CCc1ccccc1)CC(C)C
InChIInChI=1S/C20H27N/c1-4-18-15-21-13-12-20(18)19(14-16(2)3)11-10-17-8-6-5-7-9-17/h5-9,12-13,15-16,19H,4,10-11,14H2,1-3H3
InChIKeyUHOQQSIAKLICJA-UHFFFAOYSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4-(6-phenylhexan-3-yl)pyridine
CID 14883833
3-(3-ethyl-4-pyridinyl)pentane-1,5-diol
CID 26793167
3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine
CID 19783351
4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
CID 79425331
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 114688955
2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol
CID 175233459
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine
CID 166382610
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-methylpentan-1-amine
CID 114013828
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine?
The IUPAC name of 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine (CID 19783340) is 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine.
What is the SMILES notation for 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine?
The canonical SMILES for 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine is CCc1cnccc1C(CCc1ccccc1)CC(C)C.
What is the InChIKey of 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine?
The InChIKey is UHOQQSIAKLICJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-18-15-21-13-12-20(18)19(14-16(2)3)11-10-17-8-6-5-7-9-17/h5-9,12-13,15-16,19H,4,10-11,14H2,1-3H3.
What are the key properties of 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine?
3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine has a molecular weight of 281.44 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine is sourced from PubChem (CID 19783340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).