4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine

C12H17N3 — CID 168981579

IUPAC4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C2CNC3(CC3)C2)ccn1C
InChIInChI=1S/C12H17N3/c1-15-5-2-9(6-11(15)13)10-7-12(3-4-12)14-8-10/h2,5-6,10,13-14H,3-4,7-8H2,1H3/b13-11+
InChIKeyVDOKANGBQJQWPQ-ACCUITESSA-N
MW203.29 g/mol
LogP1.11
Rot. Bonds1

About 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine

4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine (PubChem CID 168981579) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine.

Molecular Properties

Compound Name4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine
PubChem CID168981579
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C2CNC3(CC3)C2)ccn1C
InChIInChI=1S/C12H17N3/c1-15-5-2-9(6-11(15)13)10-7-12(3-4-12)14-8-10/h2,5-6,10,13-14H,3-4,7-8H2,1H3/b13-11+
InChIKeyVDOKANGBQJQWPQ-ACCUITESSA-N
XLogP1.11
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine
CID 155727649

Frequently Asked Questions

What is the IUPAC name of 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine?
The IUPAC name of 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine (CID 168981579) is 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine.
What is the SMILES notation for 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine?
The canonical SMILES for 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine is [H]/N=c1\cc(C2CNC3(CC3)C2)ccn1C.
What is the InChIKey of 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine?
The InChIKey is VDOKANGBQJQWPQ-ACCUITESSA-N. The full InChI is InChI=1S/C12H17N3/c1-15-5-2-9(6-11(15)13)10-7-12(3-4-12)14-8-10/h2,5-6,10,13-14H,3-4,7-8H2,1H3/b13-11+.
What are the key properties of 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine?
4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine has a molecular weight of 203.29 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine is sourced from PubChem (CID 168981579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).