N-(2,2,6,6-tetramethyloctan-4-yl)methanimine

C13H27N — CID 138702333

IUPACN-(2,2,6,6-tetramethyloctan-4-yl)methanimine
SMILESC=NC(CC(C)(C)C)CC(C)(C)CC
InChIInChI=1S/C13H27N/c1-8-13(5,6)10-11(14-7)9-12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyNEPLIDDBKRKCHH-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.32
Rot. Bonds5

About N-(2,2,6,6-tetramethyloctan-4-yl)methanimine

N-(2,2,6,6-tetramethyloctan-4-yl)methanimine (PubChem CID 138702333) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethyloctan-4-yl)methanimine.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethyloctan-4-yl)methanimine
PubChem CID138702333
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(2,2,6,6-tetramethyloctan-4-yl)methanimine
SMILESC=NC(CC(C)(C)C)CC(C)(C)CC
InChIInChI=1S/C13H27N/c1-8-13(5,6)10-11(14-7)9-12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyNEPLIDDBKRKCHH-UHFFFAOYSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethyloctan-4-yl)methanimine?
The IUPAC name of N-(2,2,6,6-tetramethyloctan-4-yl)methanimine (CID 138702333) is N-(2,2,6,6-tetramethyloctan-4-yl)methanimine.
What is the SMILES notation for N-(2,2,6,6-tetramethyloctan-4-yl)methanimine?
The canonical SMILES for N-(2,2,6,6-tetramethyloctan-4-yl)methanimine is C=NC(CC(C)(C)C)CC(C)(C)CC.
What is the InChIKey of N-(2,2,6,6-tetramethyloctan-4-yl)methanimine?
The InChIKey is NEPLIDDBKRKCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-8-13(5,6)10-11(14-7)9-12(2,3)4/h11H,7-10H2,1-6H3.
What are the key properties of N-(2,2,6,6-tetramethyloctan-4-yl)methanimine?
N-(2,2,6,6-tetramethyloctan-4-yl)methanimine has a molecular weight of 197.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethyloctan-4-yl)methanimine is sourced from PubChem (CID 138702333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).