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

C13H15N — CID 129261105

IUPACN-(4-methylcyclohexa-1,5-dien-1-yl)aniline
SMILESCC1C=CC(Nc2ccccc2)=CC1
InChIInChI=1S/C13H15N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-7,9-11,14H,8H2,1H3
InChIKeyHGSVXCUUAXHVKW-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.58
Rot. Bonds2

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

N-(4-methylcyclohexa-1,5-dien-1-yl)aniline (PubChem CID 129261105) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(4-methylcyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound NameN-(4-methylcyclohexa-1,5-dien-1-yl)aniline
PubChem CID129261105
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-(4-methylcyclohexa-1,5-dien-1-yl)aniline
SMILESCC1C=CC(Nc2ccccc2)=CC1
InChIInChI=1S/C13H15N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-7,9-11,14H,8H2,1H3
InChIKeyHGSVXCUUAXHVKW-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of N-(4-methylcyclohexa-1,5-dien-1-yl)aniline (CID 129261105) is N-(4-methylcyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for N-(4-methylcyclohexa-1,5-dien-1-yl)aniline is CC1C=CC(Nc2ccccc2)=CC1.
What is the InChIKey of N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is HGSVXCUUAXHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-7,9-11,14H,8H2,1H3.
What are the key properties of N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
N-(4-methylcyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 185.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 129261105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).