1-hexylpyridin-4-imine

C11H18N2 — CID 657407

IUPAC1-hexylpyridin-4-imine
SMILES[H]N=c1ccn(CCCCCC)cc1
InChIInChI=1S/C11H18N2/c1-2-3-4-5-8-13-9-6-11(12)7-10-13/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyOFPNKGMYFSJLJY-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.55
Rot. Bonds5

About 1-hexylpyridin-4-imine

1-hexylpyridin-4-imine (PubChem CID 657407) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-hexylpyridin-4-imine.

Molecular Properties

Compound Name1-hexylpyridin-4-imine
PubChem CID657407
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-hexylpyridin-4-imine
SMILES[H]N=c1ccn(CCCCCC)cc1
InChIInChI=1S/C11H18N2/c1-2-3-4-5-8-13-9-6-11(12)7-10-13/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyOFPNKGMYFSJLJY-UHFFFAOYSA-N
XLogP2.55
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.55
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
N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine
CID 65879
1-dodecylpyridin-4(1H)-imine
CID 1878823
1-pentylpyridin-4(1H)-imine hydroiodide
CID 6603239
1-Dodecyl-1H-pyridin-4-ylideneamine
CID 16682136
1-[6-(4-Imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide
CID 13408445
1-heptyl-N-hexylpyridin-4-imine;hydrochloride
CID 14198622
N-heptyl-1-hexylpyridin-4-imine;hydrochloride
CID 14198628

Frequently Asked Questions

What is the IUPAC name of 1-hexylpyridin-4-imine?
The IUPAC name of 1-hexylpyridin-4-imine (CID 657407) is 1-hexylpyridin-4-imine.
What is the SMILES notation for 1-hexylpyridin-4-imine?
The canonical SMILES for 1-hexylpyridin-4-imine is [H]N=c1ccn(CCCCCC)cc1.
What is the InChIKey of 1-hexylpyridin-4-imine?
The InChIKey is OFPNKGMYFSJLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-3-4-5-8-13-9-6-11(12)7-10-13/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of 1-hexylpyridin-4-imine?
1-hexylpyridin-4-imine has a molecular weight of 178.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpyridin-4-imine is sourced from PubChem (CID 657407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).