1-decylpyridin-4-imine

C15H26N2 — CID 534503

IUPAC1-decylpyridin-4-imine
SMILES[H]N=c1ccn(CCCCCCCCCC)cc1
InChIInChI=1S/C15H26N2/c1-2-3-4-5-6-7-8-9-12-17-13-10-15(16)11-14-17/h10-11,13-14,16H,2-9,12H2,1H3
InChIKeyOKCJSJRJQAGPQL-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.11
Rot. Bonds9

About 1-decylpyridin-4-imine

1-decylpyridin-4-imine (PubChem CID 534503) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-decylpyridin-4-imine.

Molecular Properties

Compound Name1-decylpyridin-4-imine
PubChem CID534503
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-decylpyridin-4-imine
SMILES[H]N=c1ccn(CCCCCCCCCC)cc1
InChIInChI=1S/C15H26N2/c1-2-3-4-5-6-7-8-9-12-17-13-10-15(16)11-14-17/h10-11,13-14,16H,2-9,12H2,1H3
InChIKeyOKCJSJRJQAGPQL-UHFFFAOYSA-N
XLogP4.11
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.11
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-heptadecylpyrrole
CID 23344128
1-docosylpyrrole
CID 23344131
N-decyl-1-[12-(4-decylimino-1-pyridinyl)dodecyl]pyridin-4-imine
CID 13408540
N,1-di(nonyl)pyridin-4-imine
CID 14198651
N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine
CID 13408472
N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine dichloride
CID 170923435
1-pentylpyrrole;propane
CID 174972146
(1-heptylpyrrol-3-yl)methanol
CID 66399953
3-propyl-1-undecylpyrrole;hydrochloride
CID 175874758
3-amino-1-heptylpyridin-4-one
CID 82990837
1-dodecyl-3-propylpyrrole;formonitrile
CID 175849627
1-hexyl-3,4-dimethylpyrrole
CID 11252331

Frequently Asked Questions

What is the IUPAC name of 1-decylpyridin-4-imine?
The IUPAC name of 1-decylpyridin-4-imine (CID 534503) is 1-decylpyridin-4-imine.
What is the SMILES notation for 1-decylpyridin-4-imine?
The canonical SMILES for 1-decylpyridin-4-imine is [H]N=c1ccn(CCCCCCCCCC)cc1.
What is the InChIKey of 1-decylpyridin-4-imine?
The InChIKey is OKCJSJRJQAGPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-3-4-5-6-7-8-9-12-17-13-10-15(16)11-14-17/h10-11,13-14,16H,2-9,12H2,1H3.
What are the key properties of 1-decylpyridin-4-imine?
1-decylpyridin-4-imine has a molecular weight of 234.39 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylpyridin-4-imine is sourced from PubChem (CID 534503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).