4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine

C13H19N3 — CID 168893920

IUPAC4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine
SMILES[H]/N=C/n1ccc(C(CCC)C2CC2)c/c1=N\[H]
InChIInChI=1S/C13H19N3/c1-2-3-12(10-4-5-10)11-6-7-16(9-14)13(15)8-11/h6-10,12,14-15H,2-5H2,1H3/b14-9+,15-13+
InChIKeyWUHRRYUZODRWSG-NNTZBSGJSA-N
MW217.32 g/mol
LogP2.72
Rot. Bonds5

About 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine

4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine (PubChem CID 168893920) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine.

Molecular Properties

Compound Name4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine
PubChem CID168893920
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine
SMILES[H]/N=C/n1ccc(C(CCC)C2CC2)c/c1=N\[H]
InChIInChI=1S/C13H19N3/c1-2-3-12(10-4-5-10)11-6-7-16(9-14)13(15)8-11/h6-10,12,14-15H,2-5H2,1H3/b14-9+,15-13+
InChIKeyWUHRRYUZODRWSG-NNTZBSGJSA-N
XLogP2.72
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine?
The IUPAC name of 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine (CID 168893920) is 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine.
What is the SMILES notation for 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine?
The canonical SMILES for 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine is [H]/N=C/n1ccc(C(CCC)C2CC2)c/c1=N\[H].
What is the InChIKey of 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine?
The InChIKey is WUHRRYUZODRWSG-NNTZBSGJSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-3-12(10-4-5-10)11-6-7-16(9-14)13(15)8-11/h6-10,12,14-15H,2-5H2,1H3/b14-9+,15-13+.
What are the key properties of 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine?
4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine has a molecular weight of 217.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine is sourced from PubChem (CID 168893920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).