5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine

C18H25N3O — CID 123441018

IUPAC5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine
SMILES[H]/N=C/n1cc(C2CC2)c(OCC2CCC3(CC2)CC3)c/c1=N\[H]
InChIInChI=1S/C18H25N3O/c19-12-21-10-15(14-1-2-14)16(9-17(21)20)22-11-13-3-5-18(6-4-13)7-8-18/h9-10,12-14,19-20H,1-8,11H2/b19-12+,20-17+
InChIKeyJYPKMMCOONWIHK-PVYFLZRGSA-N
MW299.42 g/mol
LogP3.65
Rot. Bonds5

About 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine

5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine (PubChem CID 123441018) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine.

Molecular Properties

Compound Name5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine
PubChem CID123441018
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine
SMILES[H]/N=C/n1cc(C2CC2)c(OCC2CCC3(CC2)CC3)c/c1=N\[H]
InChIInChI=1S/C18H25N3O/c19-12-21-10-15(14-1-2-14)16(9-17(21)20)22-11-13-3-5-18(6-4-13)7-8-18/h9-10,12-14,19-20H,1-8,11H2/b19-12+,20-17+
InChIKeyJYPKMMCOONWIHK-PVYFLZRGSA-N
XLogP3.65
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine?
The IUPAC name of 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine (CID 123441018) is 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine.
What is the SMILES notation for 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine?
The canonical SMILES for 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine is [H]/N=C/n1cc(C2CC2)c(OCC2CCC3(CC2)CC3)c/c1=N\[H].
What is the InChIKey of 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine?
The InChIKey is JYPKMMCOONWIHK-PVYFLZRGSA-N. The full InChI is InChI=1S/C18H25N3O/c19-12-21-10-15(14-1-2-14)16(9-17(21)20)22-11-13-3-5-18(6-4-13)7-8-18/h9-10,12-14,19-20H,1-8,11H2/b19-12+,20-17+.
What are the key properties of 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine?
5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine has a molecular weight of 299.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methanimidoyl-4-(spiro[2.5]octan-6-ylmethoxy)pyridin-2-imine is sourced from PubChem (CID 123441018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).