(4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine

C14H16ClN — CID 147951634

IUPAC(4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine
SMILES[H]/N=C(\C1=CC=C(C)CC1)C1C=CC(Cl)=CC1
InChIInChI=1S/C14H16ClN/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h2,4,6,8-9,12,16H,3,5,7H2,1H3/b16-14+
InChIKeyIGFWUYCPKCJPMG-JQIJEIRASA-N
MW233.74 g/mol
LogP4.37
Rot. Bonds2

About (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine

(4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine (PubChem CID 147951634) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine.

Molecular Properties

Compound Name(4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine
PubChem CID147951634
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name(4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine
SMILES[H]/N=C(\C1=CC=C(C)CC1)C1C=CC(Cl)=CC1
InChIInChI=1S/C14H16ClN/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h2,4,6,8-9,12,16H,3,5,7H2,1H3/b16-14+
InChIKeyIGFWUYCPKCJPMG-JQIJEIRASA-N
XLogP4.37
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine with MolForge

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Related Compounds

(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
6-(2-Iminocyclohexyl)cyclohexa-2,4-dien-1-imine
CID 134859228
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
6,7,8,8a-tetrahydro-5H-naphthalen-1-imine
CID 22022783
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine;iron(2+);dichloride
CID 68952498
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(6Z)-2-ethyl-6-[(Z)-2-ethylbut-2-enylidene]cyclohexan-1-imine
CID 87690054
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
5-(5-Chlorocyclohexa-2,4-dien-1-yl)hexan-2-imine
CID 89209460
(4Z)-2,5-dimethyl-4-[(2-methylcyclohexen-1-yl)methylidene]hexan-3-imine
CID 89989510

Frequently Asked Questions

What is the IUPAC name of (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine?
The IUPAC name of (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine (CID 147951634) is (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine.
What is the SMILES notation for (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine?
The canonical SMILES for (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine is [H]/N=C(\C1=CC=C(C)CC1)C1C=CC(Cl)=CC1.
What is the InChIKey of (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine?
The InChIKey is IGFWUYCPKCJPMG-JQIJEIRASA-N. The full InChI is InChI=1S/C14H16ClN/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h2,4,6,8-9,12,16H,3,5,7H2,1H3/b16-14+.
What are the key properties of (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine?
(4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine has a molecular weight of 233.74 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine is sourced from PubChem (CID 147951634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).