1-(2-propylpentanimidoyl)pyridin-2-imine

C13H21N3 — CID 168893821

IUPAC1-(2-propylpentanimidoyl)pyridin-2-imine
SMILES[H]/N=C(\C(CCC)CCC)n1cccc/c1=N\[H]
InChIInChI=1S/C13H21N3/c1-3-7-11(8-4-2)13(15)16-10-6-5-9-12(16)14/h5-6,9-11,14-15H,3-4,7-8H2,1-2H3/b14-12+,15-13+
InChIKeyZUVVFINIDSBEQH-QUMQEAAQSA-N
MW219.33 g/mol
LogP3.01
Rot. Bonds5

About 1-(2-propylpentanimidoyl)pyridin-2-imine

1-(2-propylpentanimidoyl)pyridin-2-imine (PubChem CID 168893821) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-propylpentanimidoyl)pyridin-2-imine.

Molecular Properties

Compound Name1-(2-propylpentanimidoyl)pyridin-2-imine
PubChem CID168893821
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(2-propylpentanimidoyl)pyridin-2-imine
SMILES[H]/N=C(\C(CCC)CCC)n1cccc/c1=N\[H]
InChIInChI=1S/C13H21N3/c1-3-7-11(8-4-2)13(15)16-10-6-5-9-12(16)14/h5-6,9-11,14-15H,3-4,7-8H2,1-2H3/b14-12+,15-13+
InChIKeyZUVVFINIDSBEQH-QUMQEAAQSA-N
XLogP3.01
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.01
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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Related Compounds

1-(Cyclohexanecarboximidoyl)-5-fluoropyridin-2-imine
CID 89624425
1-(2-Propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894032
1-(Cyclohexanecarboximidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894242
1-(Cyclohexanecarboximidoyl)-4-fluoropyridin-2-imine
CID 169840914
1-(Cyclohexanecarboximidoyl)-3-(trifluoromethyl)pyridin-2-imine
CID 169841450
1-(Cyclohexanecarboximidoyl)-2-iminopyridin-3-amine
CID 134299817
1-(Cyclohexanecarboximidoyl)pyridin-2-imine
CID 168893732
cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine
CID 168893818
5-Methyl-1-(2-propylpentanimidoyl)pyridin-2-imine
CID 168894107
1-(Cyclohexanecarboximidoyl)-5-methylpyridin-2-imine
CID 168894222
1-[(2S)-2-ethylpentanimidoyl]-2-iminopyridine-4-carbonitrile
CID 168894298
5-Bromo-1-(cyclohexanecarboximidoyl)pyridin-2-imine
CID 169842702

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpentanimidoyl)pyridin-2-imine?
The IUPAC name of 1-(2-propylpentanimidoyl)pyridin-2-imine (CID 168893821) is 1-(2-propylpentanimidoyl)pyridin-2-imine.
What is the SMILES notation for 1-(2-propylpentanimidoyl)pyridin-2-imine?
The canonical SMILES for 1-(2-propylpentanimidoyl)pyridin-2-imine is [H]/N=C(\C(CCC)CCC)n1cccc/c1=N\[H].
What is the InChIKey of 1-(2-propylpentanimidoyl)pyridin-2-imine?
The InChIKey is ZUVVFINIDSBEQH-QUMQEAAQSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-7-11(8-4-2)13(15)16-10-6-5-9-12(16)14/h5-6,9-11,14-15H,3-4,7-8H2,1-2H3/b14-12+,15-13+.
What are the key properties of 1-(2-propylpentanimidoyl)pyridin-2-imine?
1-(2-propylpentanimidoyl)pyridin-2-imine has a molecular weight of 219.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpentanimidoyl)pyridin-2-imine is sourced from PubChem (CID 168893821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).