N-octyl-3H-pyridin-4-imine

C13H22N2 — CID 172634671

IUPACN-octyl-3H-pyridin-4-imine
SMILESCCCCCCCC/N=C1\C=CN=CC1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8,11-12H,2-7,9-10H2,1H3/b15-13+
InChIKeyZJLYKFQYEQJWEM-FYWRMAATSA-N
MW206.33 g/mol
LogP3.78
Rot. Bonds7

About N-octyl-3H-pyridin-4-imine

N-octyl-3H-pyridin-4-imine (PubChem CID 172634671) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-octyl-3H-pyridin-4-imine.

Molecular Properties

Compound NameN-octyl-3H-pyridin-4-imine
PubChem CID172634671
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-octyl-3H-pyridin-4-imine
SMILESCCCCCCCC/N=C1\C=CN=CC1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8,11-12H,2-7,9-10H2,1H3/b15-13+
InChIKeyZJLYKFQYEQJWEM-FYWRMAATSA-N
XLogP3.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-butyl-2H-imidazo[4,5-c]pyridine
CID 57234190
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
CID 122545432
N-[(1E)-2-(2,3,4,5-tetrahydropyridin-6-yl)buta-1,3-dienyl]prop-2-en-1-imine
CID 131990448
1-iodo-N-octylpyridin-4-imine
CID 132059455
N-[(E)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-enyl]ethanimine
CID 139482113
N-cyclohexyl-3H-pyridin-4-imine
CID 141509932
N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine
CID 142789571
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene
CID 143157754
N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine
CID 143882550
(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine;ethane;ethene
CID 144163518
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane
CID 145148851
1-methyl-N-octylpyridin-4-imine
CID 156393031

Frequently Asked Questions

What is the IUPAC name of N-octyl-3H-pyridin-4-imine?
The IUPAC name of N-octyl-3H-pyridin-4-imine (CID 172634671) is N-octyl-3H-pyridin-4-imine.
What is the SMILES notation for N-octyl-3H-pyridin-4-imine?
The canonical SMILES for N-octyl-3H-pyridin-4-imine is CCCCCCCC/N=C1\C=CN=CC1.
What is the InChIKey of N-octyl-3H-pyridin-4-imine?
The InChIKey is ZJLYKFQYEQJWEM-FYWRMAATSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8,11-12H,2-7,9-10H2,1H3/b15-13+.
What are the key properties of N-octyl-3H-pyridin-4-imine?
N-octyl-3H-pyridin-4-imine has a molecular weight of 206.33 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-3H-pyridin-4-imine is sourced from PubChem (CID 172634671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).