4-methylidenecyclohexane-1,2-diimine

C7H10N2 — CID 57008475

IUPAC4-methylidenecyclohexane-1,2-diimine
SMILES[H]/N=C1\CCC(=C)C\C1=N/[H]
InChIInChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h8-9H,1-4H2/b8-6+,9-7+
InChIKeyPXRSZBCNNMNMHB-CDJQDVQCSA-N
MW122.17 g/mol
LogP1.77
Rot. Bonds

About 4-methylidenecyclohexane-1,2-diimine

4-methylidenecyclohexane-1,2-diimine (PubChem CID 57008475) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-methylidenecyclohexane-1,2-diimine.

Molecular Properties

Compound Name4-methylidenecyclohexane-1,2-diimine
PubChem CID57008475
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-methylidenecyclohexane-1,2-diimine
SMILES[H]/N=C1\CCC(=C)C\C1=N/[H]
InChIInChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h8-9H,1-4H2/b8-6+,9-7+
InChIKeyPXRSZBCNNMNMHB-CDJQDVQCSA-N
XLogP1.77
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylidenecyclohexane-1,2-diimine?
The IUPAC name of 4-methylidenecyclohexane-1,2-diimine (CID 57008475) is 4-methylidenecyclohexane-1,2-diimine.
What is the SMILES notation for 4-methylidenecyclohexane-1,2-diimine?
The canonical SMILES for 4-methylidenecyclohexane-1,2-diimine is [H]/N=C1\CCC(=C)C\C1=N/[H].
What is the InChIKey of 4-methylidenecyclohexane-1,2-diimine?
The InChIKey is PXRSZBCNNMNMHB-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h8-9H,1-4H2/b8-6+,9-7+.
What are the key properties of 4-methylidenecyclohexane-1,2-diimine?
4-methylidenecyclohexane-1,2-diimine has a molecular weight of 122.17 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenecyclohexane-1,2-diimine is sourced from PubChem (CID 57008475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).