N-ethyl-4,4,5,5-tetramethyloctan-2-imine

C14H29N — CID 91192770

IUPACN-ethyl-4,4,5,5-tetramethyloctan-2-imine
SMILESCCCC(C)(C)C(C)(C)C/C(C)=N/CC
InChIInChI=1S/C14H29N/c1-8-10-13(4,5)14(6,7)11-12(3)15-9-2/h8-11H2,1-7H3/b15-12+
InChIKeyVJALQZGFEGAJCC-NTCAYCPXSA-N
MW211.39 g/mol
LogP4.71
Rot. Bonds6

About N-ethyl-4,4,5,5-tetramethyloctan-2-imine

N-ethyl-4,4,5,5-tetramethyloctan-2-imine (PubChem CID 91192770) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-ethyl-4,4,5,5-tetramethyloctan-2-imine.

Molecular Properties

Compound NameN-ethyl-4,4,5,5-tetramethyloctan-2-imine
PubChem CID91192770
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-ethyl-4,4,5,5-tetramethyloctan-2-imine
SMILESCCCC(C)(C)C(C)(C)C/C(C)=N/CC
InChIInChI=1S/C14H29N/c1-8-10-13(4,5)14(6,7)11-12(3)15-9-2/h8-11H2,1-7H3/b15-12+
InChIKeyVJALQZGFEGAJCC-NTCAYCPXSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.71
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-ethyl-4,4,5,5-tetramethyloctan-2-imine?
The IUPAC name of N-ethyl-4,4,5,5-tetramethyloctan-2-imine (CID 91192770) is N-ethyl-4,4,5,5-tetramethyloctan-2-imine.
What is the SMILES notation for N-ethyl-4,4,5,5-tetramethyloctan-2-imine?
The canonical SMILES for N-ethyl-4,4,5,5-tetramethyloctan-2-imine is CCCC(C)(C)C(C)(C)C/C(C)=N/CC.
What is the InChIKey of N-ethyl-4,4,5,5-tetramethyloctan-2-imine?
The InChIKey is VJALQZGFEGAJCC-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H29N/c1-8-10-13(4,5)14(6,7)11-12(3)15-9-2/h8-11H2,1-7H3/b15-12+.
What are the key properties of N-ethyl-4,4,5,5-tetramethyloctan-2-imine?
N-ethyl-4,4,5,5-tetramethyloctan-2-imine has a molecular weight of 211.39 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,5,5-tetramethyloctan-2-imine is sourced from PubChem (CID 91192770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).