1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane

C14H23N3O — CID 168893760

IUPAC1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane
SMILESCC1CCCCC1.[H]/N=C/n1ccc(OC)c/c1=N\[H]
InChIInChI=1S/C7H9N3O.C7H14/c1-11-6-2-3-10(5-8)7(9)4-6;1-7-5-3-2-4-6-7/h2-5,8-9H,1H3;7H,2-6H2,1H3/b8-5+,9-7+;
InChIKeySMQGXVNYVITSSM-DRQDVJCFSA-N
MW249.36 g/mol
LogP3.02
Rot. Bonds2

About 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane

1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane (PubChem CID 168893760) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane.

Molecular Properties

Compound Name1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane
PubChem CID168893760
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane
SMILESCC1CCCCC1.[H]/N=C/n1ccc(OC)c/c1=N\[H]
InChIInChI=1S/C7H9N3O.C7H14/c1-11-6-2-3-10(5-8)7(9)4-6;1-7-5-3-2-4-6-7/h2-5,8-9H,1H3;7H,2-6H2,1H3/b8-5+,9-7+;
InChIKeySMQGXVNYVITSSM-DRQDVJCFSA-N
XLogP3.02
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-Ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane
CID 168894030
Heptane;1-methanimidoyl-4-methoxypyridin-2-imine
CID 168894219

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane?
The IUPAC name of 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane (CID 168893760) is 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane.
What is the SMILES notation for 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane?
The canonical SMILES for 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane is CC1CCCCC1.[H]/N=C/n1ccc(OC)c/c1=N\[H].
What is the InChIKey of 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane?
The InChIKey is SMQGXVNYVITSSM-DRQDVJCFSA-N. The full InChI is InChI=1S/C7H9N3O.C7H14/c1-11-6-2-3-10(5-8)7(9)4-6;1-7-5-3-2-4-6-7/h2-5,8-9H,1H3;7H,2-6H2,1H3/b8-5+,9-7+;.
What are the key properties of 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane?
1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane has a molecular weight of 249.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane is sourced from PubChem (CID 168893760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).