3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine

C34H45N — CID 173274927

IUPAC3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine
SMILESCCC(C)(C)C(C1CCCCC1)C(CCC(c1ccccc1)c1ccccc1)Cc1cccnc1
InChIInChI=1S/C34H45N/c1-4-34(2,3)33(30-20-12-7-13-21-30)31(25-27-15-14-24-35-26-27)22-23-32(28-16-8-5-9-17-28)29-18-10-6-11-19-29/h5-6,8-11,14-19,24,26,30-33H,4,7,12-13,20-23,25H2,1-3H3
InChIKeyIBUGEEHEYHYXKZ-UHFFFAOYSA-N
MW467.74 g/mol
LogP9.49
Rot. Bonds11

About 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine

3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine (PubChem CID 173274927) has the molecular formula C34H45N and a molecular weight of 467.74 g/mol. Its IUPAC name is 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine.

Molecular Properties

Compound Name3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine
PubChem CID173274927
Molecular FormulaC34H45N
Molecular Weight467.74 g/mol
Exact Mass467.36
IUPAC Name3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine
SMILESCCC(C)(C)C(C1CCCCC1)C(CCC(c1ccccc1)c1ccccc1)Cc1cccnc1
InChIInChI=1S/C34H45N/c1-4-34(2,3)33(30-20-12-7-13-21-30)31(25-27-15-14-24-35-26-27)22-23-32(28-16-8-5-9-17-28)29-18-10-6-11-19-29/h5-6,8-11,14-19,24,26,30-33H,4,7,12-13,20-23,25H2,1-3H3
InChIKeyIBUGEEHEYHYXKZ-UHFFFAOYSA-N
XLogP9.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
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2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
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1-cyclohexyl-N-methyl-1-pyridin-3-ylmethanamine
CID 60817955
N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
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N-[cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47031415
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
4-[2-(cyclohexylmethyl)-3,3-dimethylpentyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine?
The IUPAC name of 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine (CID 173274927) is 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine.
What is the SMILES notation for 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine?
The canonical SMILES for 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine is CCC(C)(C)C(C1CCCCC1)C(CCC(c1ccccc1)c1ccccc1)Cc1cccnc1.
What is the InChIKey of 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine?
The InChIKey is IBUGEEHEYHYXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N/c1-4-34(2,3)33(30-20-12-7-13-21-30)31(25-27-15-14-24-35-26-27)22-23-32(28-16-8-5-9-17-28)29-18-10-6-11-19-29/h5-6,8-11,14-19,24,26,30-33H,4,7,12-13,20-23,25H2,1-3H3.
What are the key properties of 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine?
3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine has a molecular weight of 467.74 g/mol, XLogP of 9.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclohexyl-2-(3,3-diphenylpropyl)-4,4-dimethylhexyl]pyridine is sourced from PubChem (CID 173274927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).