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

C19H31N3 — CID 168893919

IUPACcyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine
SMILESC1CCCCC1.[H]/N=C/n1ccc(C(CCC)C2CC2)c/c1=N\[H]
InChIInChI=1S/C13H19N3.C6H12/c1-2-3-12(10-4-5-10)11-6-7-16(9-14)13(15)8-11;1-2-4-6-5-3-1/h6-10,12,14-15H,2-5H2,1H3;1-6H2/b14-9+,15-13+;
InChIKeyZFJANCOSKWBKME-PYUIFQKQSA-N
MW301.48 g/mol
LogP5.06
Rot. Bonds5

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

cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine (PubChem CID 168893919) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine.

Molecular Properties

Compound Namecyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine
PubChem CID168893919
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Namecyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine
SMILESC1CCCCC1.[H]/N=C/n1ccc(C(CCC)C2CC2)c/c1=N\[H]
InChIInChI=1S/C13H19N3.C6H12/c1-2-3-12(10-4-5-10)11-6-7-16(9-14)13(15)8-11;1-2-4-6-5-3-1/h6-10,12,14-15H,2-5H2,1H3;1-6H2/b14-9+,15-13+;
InChIKeyZFJANCOSKWBKME-PYUIFQKQSA-N
XLogP5.06
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.48
LogP ≤ 55.06
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 cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine?
The IUPAC name of cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine (CID 168893919) is cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine.
What is the SMILES notation for cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine?
The canonical SMILES for cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine is C1CCCCC1.[H]/N=C/n1ccc(C(CCC)C2CC2)c/c1=N\[H].
What is the InChIKey of cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine?
The InChIKey is ZFJANCOSKWBKME-PYUIFQKQSA-N. The full InChI is InChI=1S/C13H19N3.C6H12/c1-2-3-12(10-4-5-10)11-6-7-16(9-14)13(15)8-11;1-2-4-6-5-3-1/h6-10,12,14-15H,2-5H2,1H3;1-6H2/b14-9+,15-13+;.
What are the key properties of cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine?
cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine has a molecular weight of 301.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;4-(1-cyclopropylbutyl)-1-methanimidoylpyridin-2-imine is sourced from PubChem (CID 168893919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).