1-pentylpyridin-4-imine

C10H16N2 — CID 657413

IUPAC1-pentylpyridin-4-imine
SMILES[H]N=c1ccn(CCCCC)cc1
InChIInChI=1S/C10H16N2/c1-2-3-4-7-12-8-5-10(11)6-9-12/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyFMIAAFYACNQOSU-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.16
Rot. Bonds4

About 1-pentylpyridin-4-imine

1-pentylpyridin-4-imine (PubChem CID 657413) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-pentylpyridin-4-imine.

Molecular Properties

Compound Name1-pentylpyridin-4-imine
PubChem CID657413
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-pentylpyridin-4-imine
SMILES[H]N=c1ccn(CCCCC)cc1
InChIInChI=1S/C10H16N2/c1-2-3-4-7-12-8-5-10(11)6-9-12/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyFMIAAFYACNQOSU-UHFFFAOYSA-N
XLogP2.16
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Octyl-1H-pyridin-4-ylideneamine
CID 16682157
1-Heptyl-1H-pyridin-4-ylideneamine
CID 9551797
1-Nonyl-1H-pyridin-4-ylideneamine
CID 16682142
1-Decyl-1H-pyridin-4-ylideneamine
CID 16682221
1-hexylpyridin-4(1H)-imine hydrobromide
CID 6603240
1-methylpyridin-4(1H)-imine
CID 817189
1-dodecylpyridin-4(1H)-imine
CID 1878823
1-pentylpyridin-4(1H)-imine hydroiodide
CID 6603239
1-Dodecyl-1H-pyridin-4-ylideneamine
CID 16682136
1-ethylpyridin-4(1H)-imine
CID 657409
1-[4-(4-Imino-1-pyridinyl)butyl]pyridin-4-imine;dihydrobromide
CID 13408443
1-[6-(4-Imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide
CID 13408445

Frequently Asked Questions

What is the IUPAC name of 1-pentylpyridin-4-imine?
The IUPAC name of 1-pentylpyridin-4-imine (CID 657413) is 1-pentylpyridin-4-imine.
What is the SMILES notation for 1-pentylpyridin-4-imine?
The canonical SMILES for 1-pentylpyridin-4-imine is [H]N=c1ccn(CCCCC)cc1.
What is the InChIKey of 1-pentylpyridin-4-imine?
The InChIKey is FMIAAFYACNQOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-3-4-7-12-8-5-10(11)6-9-12/h5-6,8-9,11H,2-4,7H2,1H3.
What are the key properties of 1-pentylpyridin-4-imine?
1-pentylpyridin-4-imine has a molecular weight of 164.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyridin-4-imine is sourced from PubChem (CID 657413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).