3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline

C16H19N — CID 129131363

IUPAC3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
SMILESC=Cc1cccc(N(C)C2=CCC(C)C=C2)c1
InChIInChI=1S/C16H19N/c1-4-14-6-5-7-16(12-14)17(3)15-10-8-13(2)9-11-15/h4-8,10-13H,1,9H2,2-3H3
InChIKeyIMQKXWHTIRUQBR-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.25
Rot. Bonds3

About 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline

3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline (PubChem CID 129131363) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound Name3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
PubChem CID129131363
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
SMILESC=Cc1cccc(N(C)C2=CCC(C)C=C2)c1
InChIInChI=1S/C16H19N/c1-4-14-6-5-7-16(12-14)17(3)15-10-8-13(2)9-11-15/h4-8,10-13H,1,9H2,2-3H3
InChIKeyIMQKXWHTIRUQBR-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline (CID 129131363) is 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline is C=Cc1cccc(N(C)C2=CCC(C)C=C2)c1.
What is the InChIKey of 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is IMQKXWHTIRUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-4-14-6-5-7-16(12-14)17(3)15-10-8-13(2)9-11-15/h4-8,10-13H,1,9H2,2-3H3.
What are the key properties of 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 225.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 129131363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).