N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline

C13H14N2 — CID 146563747

IUPACN-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline
SMILESC=NN(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C13H14N2/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8-11H,1,3,7H2
InChIKeyMLKJHYBPXPZYKN-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.34
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline

N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline (PubChem CID 146563747) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline
PubChem CID146563747
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline
SMILESC=NN(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C13H14N2/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8-11H,1,3,7H2
InChIKeyMLKJHYBPXPZYKN-UHFFFAOYSA-N
XLogP3.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline (CID 146563747) is N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline is C=NN(C1=CCCC=C1)c1ccccc1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline?
The InChIKey is MLKJHYBPXPZYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8-11H,1,3,7H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline?
N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline has a molecular weight of 198.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline is sourced from PubChem (CID 146563747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).