N-cyclohexa-2,4-dien-1-yl-N-methylaniline

C13H15N — CID 15822281

IUPACN-cyclohexa-2,4-dien-1-yl-N-methylaniline
SMILESCN(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C13H15N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-10,13H,11H2,1H3
InChIKeyGHZZLRNVTFFHQQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.01
Rot. Bonds2

About N-cyclohexa-2,4-dien-1-yl-N-methylaniline

N-cyclohexa-2,4-dien-1-yl-N-methylaniline (PubChem CID 15822281) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-methylaniline.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-methylaniline
PubChem CID15822281
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-methylaniline
SMILESCN(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C13H15N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-10,13H,11H2,1H3
InChIKeyGHZZLRNVTFFHQQ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-methylaniline?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-methylaniline (CID 15822281) is N-cyclohexa-2,4-dien-1-yl-N-methylaniline.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-methylaniline?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-methylaniline is CN(c1ccccc1)C1C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-methylaniline?
The InChIKey is GHZZLRNVTFFHQQ-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/h2-10,13H,11H2,1H3.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-methylaniline?
N-cyclohexa-2,4-dien-1-yl-N-methylaniline has a molecular weight of 185.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-methylaniline is sourced from PubChem (CID 15822281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).