3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine

C21H27N — CID 155031639

IUPAC3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine
SMILESC=C(CCCCCc1ccc(-c2cccnc2)cc1)C(C)C
InChIInChI=1S/C21H27N/c1-17(2)18(3)8-5-4-6-9-19-11-13-20(14-12-19)21-10-7-15-22-16-21/h7,10-17H,3-6,8-9H2,1-2H3
InChIKeyDXAHQPNCYCTFTH-UHFFFAOYSA-N
MW293.45 g/mol
LogP6.06
Rot. Bonds8

About 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine

3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine (PubChem CID 155031639) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine
PubChem CID155031639
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine
SMILESC=C(CCCCCc1ccc(-c2cccnc2)cc1)C(C)C
InChIInChI=1S/C21H27N/c1-17(2)18(3)8-5-4-6-9-19-11-13-20(14-12-19)21-10-7-15-22-16-21/h7,10-17H,3-6,8-9H2,1-2H3
InChIKeyDXAHQPNCYCTFTH-UHFFFAOYSA-N
XLogP6.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 122462323
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3-[4-(4-but-3-enylphenyl)phenyl]pyridine
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N-methyl-3-(4-pyridin-3-ylphenyl)propanamide
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N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
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bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
3-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]pyridine
CID 67638405
N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine
CID 54332382
3-azulen-6-ylpyridine
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N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
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CID 35216489

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine?
The IUPAC name of 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine (CID 155031639) is 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine.
What is the SMILES notation for 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine?
The canonical SMILES for 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine is C=C(CCCCCc1ccc(-c2cccnc2)cc1)C(C)C.
What is the InChIKey of 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine?
The InChIKey is DXAHQPNCYCTFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-17(2)18(3)8-5-4-6-9-19-11-13-20(14-12-19)21-10-7-15-22-16-21/h7,10-17H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine?
3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine has a molecular weight of 293.45 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-methyl-6-methylideneoctyl)phenyl]pyridine is sourced from PubChem (CID 155031639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).