1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine

C9H11ClN2 — CID 90992265

IUPAC1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine
SMILESC=NN=CC1=C(Cl)CCC=C1C
InChIInChI=1S/C9H11ClN2/c1-7-4-3-5-9(10)8(7)6-12-11-2/h4,6H,2-3,5H2,1H3
InChIKeyTZJWZNBVVZWJQL-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.91
Rot. Bonds2

About 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine

1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine (PubChem CID 90992265) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine.

Molecular Properties

Compound Name1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine
PubChem CID90992265
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine
SMILESC=NN=CC1=C(Cl)CCC=C1C
InChIInChI=1S/C9H11ClN2/c1-7-4-3-5-9(10)8(7)6-12-11-2/h4,6H,2-3,5H2,1H3
InChIKeyTZJWZNBVVZWJQL-UHFFFAOYSA-N
XLogP2.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.91
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'}

Analyze 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine
CID 146320987
(4E,5E)-4,5-di(ethylidene)pyridazine
CID 89088813
3-Chloro-4-ethylidene-5-methylidenepyridine
CID 123707183
7-methyl-8H-cyclohepta[d]pyridazine
CID 143195380
(4-Chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 163518027
2-[(E)-(2-chlorocyclohexa-1,5-dien-1-yl)methylideneamino]guanidine
CID 174321835
(4E)-4-ethylidene-5-propan-2-ylidenepyridazine
CID 143336390

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine?
The IUPAC name of 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine (CID 90992265) is 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine.
What is the SMILES notation for 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine?
The canonical SMILES for 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine is C=NN=CC1=C(Cl)CCC=C1C.
What is the InChIKey of 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine?
The InChIKey is TZJWZNBVVZWJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-7-4-3-5-9(10)8(7)6-12-11-2/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine?
1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine has a molecular weight of 182.65 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine is sourced from PubChem (CID 90992265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).