2-methanimidoyl-N-methylcyclohex-2-en-1-imine

C8H12N2 — CID 123759014

IUPAC2-methanimidoyl-N-methylcyclohex-2-en-1-imine
SMILES[H]/N=C/C1=CCCC/C1=N\C
InChIInChI=1S/C8H12N2/c1-10-8-5-3-2-4-7(8)6-9/h4,6,9H,2-3,5H2,1H3/b9-6+,10-8+
InChIKeyOUHPWLJKQHPRGO-OAMUUVBCSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds1

About 2-methanimidoyl-N-methylcyclohex-2-en-1-imine

2-methanimidoyl-N-methylcyclohex-2-en-1-imine (PubChem CID 123759014) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methanimidoyl-N-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name2-methanimidoyl-N-methylcyclohex-2-en-1-imine
PubChem CID123759014
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methanimidoyl-N-methylcyclohex-2-en-1-imine
SMILES[H]/N=C/C1=CCCC/C1=N\C
InChIInChI=1S/C8H12N2/c1-10-8-5-3-2-4-7(8)6-9/h4,6,9H,2-3,5H2,1H3/b9-6+,10-8+
InChIKeyOUHPWLJKQHPRGO-OAMUUVBCSA-N
XLogP1.82
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-N-methylcyclohex-2-en-1-imine?
The IUPAC name of 2-methanimidoyl-N-methylcyclohex-2-en-1-imine (CID 123759014) is 2-methanimidoyl-N-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 2-methanimidoyl-N-methylcyclohex-2-en-1-imine?
The canonical SMILES for 2-methanimidoyl-N-methylcyclohex-2-en-1-imine is [H]/N=C/C1=CCCC/C1=N\C.
What is the InChIKey of 2-methanimidoyl-N-methylcyclohex-2-en-1-imine?
The InChIKey is OUHPWLJKQHPRGO-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-8-5-3-2-4-7(8)6-9/h4,6,9H,2-3,5H2,1H3/b9-6+,10-8+.
What are the key properties of 2-methanimidoyl-N-methylcyclohex-2-en-1-imine?
2-methanimidoyl-N-methylcyclohex-2-en-1-imine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123759014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).