3-imino-4,6-dimethylidenecyclohexen-1-amine

C8H10N2 — CID 102013794

IUPAC3-imino-4,6-dimethylidenecyclohexen-1-amine
SMILES[H]/N=C1\C=C(N)C(=C)CC1=C
InChIInChI=1S/C8H10N2/c1-5-3-6(2)8(10)4-7(5)9/h4,9H,1-3,10H2/b9-7+
InChIKeyMVUBKBJEYLFRRO-VQHVLOKHSA-N
MW134.18 g/mol
LogP1.36
Rot. Bonds

About 3-imino-4,6-dimethylidenecyclohexen-1-amine

3-imino-4,6-dimethylidenecyclohexen-1-amine (PubChem CID 102013794) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-imino-4,6-dimethylidenecyclohexen-1-amine.

Molecular Properties

Compound Name3-imino-4,6-dimethylidenecyclohexen-1-amine
PubChem CID102013794
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-imino-4,6-dimethylidenecyclohexen-1-amine
SMILES[H]/N=C1\C=C(N)C(=C)CC1=C
InChIInChI=1S/C8H10N2/c1-5-3-6(2)8(10)4-7(5)9/h4,9H,1-3,10H2/b9-7+
InChIKeyMVUBKBJEYLFRRO-VQHVLOKHSA-N
XLogP1.36
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
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 3-imino-4,6-dimethylidenecyclohexen-1-amine?
The IUPAC name of 3-imino-4,6-dimethylidenecyclohexen-1-amine (CID 102013794) is 3-imino-4,6-dimethylidenecyclohexen-1-amine.
What is the SMILES notation for 3-imino-4,6-dimethylidenecyclohexen-1-amine?
The canonical SMILES for 3-imino-4,6-dimethylidenecyclohexen-1-amine is [H]/N=C1\C=C(N)C(=C)CC1=C.
What is the InChIKey of 3-imino-4,6-dimethylidenecyclohexen-1-amine?
The InChIKey is MVUBKBJEYLFRRO-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H10N2/c1-5-3-6(2)8(10)4-7(5)9/h4,9H,1-3,10H2/b9-7+.
What are the key properties of 3-imino-4,6-dimethylidenecyclohexen-1-amine?
3-imino-4,6-dimethylidenecyclohexen-1-amine has a molecular weight of 134.18 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4,6-dimethylidenecyclohexen-1-amine is sourced from PubChem (CID 102013794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).