N-cyclohexa-1,3-dien-1-yl-N-methylaniline

C13H15N — CID 90128279

IUPACN-cyclohexa-1,3-dien-1-yl-N-methylaniline
SMILESCN(C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C13H15N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-6,8-10H,7,11H2,1H3
InChIKeyQJCVHCJQFKCLQZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.36
Rot. Bonds2

About N-cyclohexa-1,3-dien-1-yl-N-methylaniline

N-cyclohexa-1,3-dien-1-yl-N-methylaniline (PubChem CID 90128279) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-methylaniline.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-methylaniline
PubChem CID90128279
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-methylaniline
SMILESCN(C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C13H15N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-6,8-10H,7,11H2,1H3
InChIKeyQJCVHCJQFKCLQZ-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-cyclohexa-1,3-dien-1-yl-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-methylaniline?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-methylaniline (CID 90128279) is N-cyclohexa-1,3-dien-1-yl-N-methylaniline.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-methylaniline?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-methylaniline is CN(C1=CC=CCC1)c1ccccc1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-methylaniline?
The InChIKey is QJCVHCJQFKCLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-6,8-10H,7,11H2,1H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-methylaniline?
N-cyclohexa-1,3-dien-1-yl-N-methylaniline has a molecular weight of 185.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-methylaniline is sourced from PubChem (CID 90128279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).