N-dodecyl-1-methylpyridin-4-imine

C18H32N2 — CID 14576932

IUPACN-dodecyl-1-methylpyridin-4-imine
SMILESCCCCCCCCCCCCN=c1ccn(C)cc1
InChIInChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-11-12-15-19-18-13-16-20(2)17-14-18/h13-14,16-17H,3-12,15H2,1-2H3
InChIKeyDJGGNLFZWMOFRH-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.85
Rot. Bonds11

About N-dodecyl-1-methylpyridin-4-imine

N-dodecyl-1-methylpyridin-4-imine (PubChem CID 14576932) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-dodecyl-1-methylpyridin-4-imine.

Molecular Properties

Compound NameN-dodecyl-1-methylpyridin-4-imine
PubChem CID14576932
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-dodecyl-1-methylpyridin-4-imine
SMILESCCCCCCCCCCCCN=c1ccn(C)cc1
InChIInChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-11-12-15-19-18-13-16-20(2)17-14-18/h13-14,16-17H,3-12,15H2,1-2H3
InChIKeyDJGGNLFZWMOFRH-UHFFFAOYSA-N
XLogP4.85
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
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 N-dodecyl-1-methylpyridin-4-imine?
The IUPAC name of N-dodecyl-1-methylpyridin-4-imine (CID 14576932) is N-dodecyl-1-methylpyridin-4-imine.
What is the SMILES notation for N-dodecyl-1-methylpyridin-4-imine?
The canonical SMILES for N-dodecyl-1-methylpyridin-4-imine is CCCCCCCCCCCCN=c1ccn(C)cc1.
What is the InChIKey of N-dodecyl-1-methylpyridin-4-imine?
The InChIKey is DJGGNLFZWMOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-11-12-15-19-18-13-16-20(2)17-14-18/h13-14,16-17H,3-12,15H2,1-2H3.
What are the key properties of N-dodecyl-1-methylpyridin-4-imine?
N-dodecyl-1-methylpyridin-4-imine has a molecular weight of 276.47 g/mol, XLogP of 4.85, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1-methylpyridin-4-imine is sourced from PubChem (CID 14576932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).