6-methanimidoylcyclohex-3-en-1-imine

C7H10N2 — CID 153392105

IUPAC6-methanimidoylcyclohex-3-en-1-imine
SMILES[H]/N=C/C1CC=CC/C1=N\[H]
InChIInChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-2,5-6,8-9H,3-4H2/b8-5+,9-7+
InChIKeyQDOYGHDXVZQAMI-OCIXRKKMSA-N
MW122.17 g/mol
LogP1.62
Rot. Bonds1

About 6-methanimidoylcyclohex-3-en-1-imine

6-methanimidoylcyclohex-3-en-1-imine (PubChem CID 153392105) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 6-methanimidoylcyclohex-3-en-1-imine.

Molecular Properties

Compound Name6-methanimidoylcyclohex-3-en-1-imine
PubChem CID153392105
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name6-methanimidoylcyclohex-3-en-1-imine
SMILES[H]/N=C/C1CC=CC/C1=N\[H]
InChIInChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-2,5-6,8-9H,3-4H2/b8-5+,9-7+
InChIKeyQDOYGHDXVZQAMI-OCIXRKKMSA-N
XLogP1.62
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diiminotoluene
CID 166176910
2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine
CID 6179072
1-(Cyclohex-3-en-1-yl)methanimine
CID 57306453
2-Cyclohex-2-en-1-ylethanimine
CID 89097602
4,4a,5,8-Tetrahydrocinnoline
CID 90689312
(Z)-3-methyloct-5-ene-1,7-diimine
CID 90709896
4a,7-dihydro-4H-cyclopenta[c]pyridazine
CID 91193026
4,4a,5,6-Tetrahydrocinnoline
CID 91246430
4,4a,7,8-Tetrahydrocinnoline
CID 91249051
Cyclohept-4-en-1-ylmethanimine
CID 123567591
2-Cyclohex-3-en-1-ylethanimine
CID 123717181
[(1R)-cyclohex-2-en-1-yl]methylidenehydrazine
CID 130373313

Frequently Asked Questions

What is the IUPAC name of 6-methanimidoylcyclohex-3-en-1-imine?
The IUPAC name of 6-methanimidoylcyclohex-3-en-1-imine (CID 153392105) is 6-methanimidoylcyclohex-3-en-1-imine.
What is the SMILES notation for 6-methanimidoylcyclohex-3-en-1-imine?
The canonical SMILES for 6-methanimidoylcyclohex-3-en-1-imine is [H]/N=C/C1CC=CC/C1=N\[H].
What is the InChIKey of 6-methanimidoylcyclohex-3-en-1-imine?
The InChIKey is QDOYGHDXVZQAMI-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-2,5-6,8-9H,3-4H2/b8-5+,9-7+.
What are the key properties of 6-methanimidoylcyclohex-3-en-1-imine?
6-methanimidoylcyclohex-3-en-1-imine has a molecular weight of 122.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoylcyclohex-3-en-1-imine is sourced from PubChem (CID 153392105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).