1-propylpyridin-4-imine

C8H12N2 — CID 689770

IUPAC1-propylpyridin-4-imine
SMILES[H]N=c1ccn(CCC)cc1
InChIInChI=1S/C8H12N2/c1-2-5-10-6-3-8(9)4-7-10/h3-4,6-7,9H,2,5H2,1H3
InChIKeyGTCDMBKNJFDSLO-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.38
Rot. Bonds2

About 1-propylpyridin-4-imine

1-propylpyridin-4-imine (PubChem CID 689770) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-propylpyridin-4-imine.

Molecular Properties

Compound Name1-propylpyridin-4-imine
PubChem CID689770
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-propylpyridin-4-imine
SMILES[H]N=c1ccn(CCC)cc1
InChIInChI=1S/C8H12N2/c1-2-5-10-6-3-8(9)4-7-10/h3-4,6-7,9H,2,5H2,1H3
InChIKeyGTCDMBKNJFDSLO-UHFFFAOYSA-N
XLogP1.38
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propylpyridin-4-imine?
The IUPAC name of 1-propylpyridin-4-imine (CID 689770) is 1-propylpyridin-4-imine.
What is the SMILES notation for 1-propylpyridin-4-imine?
The canonical SMILES for 1-propylpyridin-4-imine is [H]N=c1ccn(CCC)cc1.
What is the InChIKey of 1-propylpyridin-4-imine?
The InChIKey is GTCDMBKNJFDSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-5-10-6-3-8(9)4-7-10/h3-4,6-7,9H,2,5H2,1H3.
What are the key properties of 1-propylpyridin-4-imine?
1-propylpyridin-4-imine has a molecular weight of 136.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyridin-4-imine is sourced from PubChem (CID 689770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).