2-methyl-4-[7-(4-methylphenyl)heptyl]azete

C18H25N — CID 170246594

IUPAC2-methyl-4-[7-(4-methylphenyl)heptyl]azete
SMILESCC1=CC(CCCCCCCc2ccc(C)cc2)=N1
InChIInChI=1S/C18H25N/c1-15-10-12-17(13-11-15)8-6-4-3-5-7-9-18-14-16(2)19-18/h10-14H,3-9H2,1-2H3
InChIKeyWPJDKUSHLUIMDA-UHFFFAOYSA-N
MW255.41 g/mol
LogP5.24
Rot. Bonds8

About 2-methyl-4-[7-(4-methylphenyl)heptyl]azete

2-methyl-4-[7-(4-methylphenyl)heptyl]azete (PubChem CID 170246594) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-methyl-4-[7-(4-methylphenyl)heptyl]azete.

Molecular Properties

Compound Name2-methyl-4-[7-(4-methylphenyl)heptyl]azete
PubChem CID170246594
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name2-methyl-4-[7-(4-methylphenyl)heptyl]azete
SMILESCC1=CC(CCCCCCCc2ccc(C)cc2)=N1
InChIInChI=1S/C18H25N/c1-15-10-12-17(13-11-15)8-6-4-3-5-7-9-18-14-16(2)19-18/h10-14H,3-9H2,1-2H3
InChIKeyWPJDKUSHLUIMDA-UHFFFAOYSA-N
XLogP5.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.41
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-(6-chlorohexyl)-4-methylbenzene;ethane
CID 144525982
1-methyl-4-octylbenzene
CID 11052746
1-(5-fluoropentyl)-4-methylbenzene
CID 172812127
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
1-(3-chloropropyl)-4-methylbenzene
CID 12932085
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
CID 70388398
CID 70388398
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
1-hexyl-4-methylbenzene;toluene
CID 173071388
5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
CID 140814097
1-(3-iodopropyl)-4-methylbenzene
CID 18402542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[7-(4-methylphenyl)heptyl]azete?
The IUPAC name of 2-methyl-4-[7-(4-methylphenyl)heptyl]azete (CID 170246594) is 2-methyl-4-[7-(4-methylphenyl)heptyl]azete.
What is the SMILES notation for 2-methyl-4-[7-(4-methylphenyl)heptyl]azete?
The canonical SMILES for 2-methyl-4-[7-(4-methylphenyl)heptyl]azete is CC1=CC(CCCCCCCc2ccc(C)cc2)=N1.
What is the InChIKey of 2-methyl-4-[7-(4-methylphenyl)heptyl]azete?
The InChIKey is WPJDKUSHLUIMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-15-10-12-17(13-11-15)8-6-4-3-5-7-9-18-14-16(2)19-18/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-4-[7-(4-methylphenyl)heptyl]azete?
2-methyl-4-[7-(4-methylphenyl)heptyl]azete has a molecular weight of 255.41 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[7-(4-methylphenyl)heptyl]azete is sourced from PubChem (CID 170246594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).