6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine

C12H16N2 — CID 134859228

IUPAC6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1C1CCCC/C1=N\[H]
InChIInChI=1S/C12H16N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,9-10,13-14H,2,4,6,8H2/b13-11+,14-12+
InChIKeyWTRJFQUSHRTIND-PHEQNACWSA-N
MW188.27 g/mol
LogP2.96
Rot. Bonds1

About 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine

6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine (PubChem CID 134859228) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine
PubChem CID134859228
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1C1CCCC/C1=N\[H]
InChIInChI=1S/C12H16N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,9-10,13-14H,2,4,6,8H2/b13-11+,14-12+
InChIKeyWTRJFQUSHRTIND-PHEQNACWSA-N
XLogP2.96
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
CID 123916073
1-Cyclohexyl-imino-2-butene
CID 129765474
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
3,4,4a,8a-tetrahydro-2H-naphthalen-1-ylidenehydrazine
CID 56607855
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
4,5-Dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine
CID 57011589
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 70461624
(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

Frequently Asked Questions

What is the IUPAC name of 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine (CID 134859228) is 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1C1CCCC/C1=N\[H].
What is the InChIKey of 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is WTRJFQUSHRTIND-PHEQNACWSA-N. The full InChI is InChI=1S/C12H16N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,9-10,13-14H,2,4,6,8H2/b13-11+,14-12+.
What are the key properties of 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine?
6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 188.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 134859228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).