4-methyl-1-octylpyridin-2-imine

C14H24N2 — CID 159310264

IUPAC4-methyl-1-octylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1CCCCCCCC
InChIInChI=1S/C14H24N2/c1-3-4-5-6-7-8-10-16-11-9-13(2)12-14(16)15/h9,11-12,15H,3-8,10H2,1-2H3/b15-14+
InChIKeyUHWDPPGCPFJHFO-CCEZHUSRSA-N
MW220.36 g/mol
LogP3.64
Rot. Bonds7

About 4-methyl-1-octylpyridin-2-imine

4-methyl-1-octylpyridin-2-imine (PubChem CID 159310264) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methyl-1-octylpyridin-2-imine.

Molecular Properties

Compound Name4-methyl-1-octylpyridin-2-imine
PubChem CID159310264
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-methyl-1-octylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1CCCCCCCC
InChIInChI=1S/C14H24N2/c1-3-4-5-6-7-8-10-16-11-9-13(2)12-14(16)15/h9,11-12,15H,3-8,10H2,1-2H3/b15-14+
InChIKeyUHWDPPGCPFJHFO-CCEZHUSRSA-N
XLogP3.64
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-octylpyridin-2-imine?
The IUPAC name of 4-methyl-1-octylpyridin-2-imine (CID 159310264) is 4-methyl-1-octylpyridin-2-imine.
What is the SMILES notation for 4-methyl-1-octylpyridin-2-imine?
The canonical SMILES for 4-methyl-1-octylpyridin-2-imine is [H]/N=c1\cc(C)ccn1CCCCCCCC.
What is the InChIKey of 4-methyl-1-octylpyridin-2-imine?
The InChIKey is UHWDPPGCPFJHFO-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-5-6-7-8-10-16-11-9-13(2)12-14(16)15/h9,11-12,15H,3-8,10H2,1-2H3/b15-14+.
What are the key properties of 4-methyl-1-octylpyridin-2-imine?
4-methyl-1-octylpyridin-2-imine has a molecular weight of 220.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-octylpyridin-2-imine is sourced from PubChem (CID 159310264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).