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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Related Compounds

2-ethylimino-3-methylhexan-3-ol;lanthanum
CID 153491627
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;promethium
CID 153491888
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
CID 153491901
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lanthanum
CID 153491751
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
CID 153491806
3-ethyl-2-ethyliminohexan-3-ol;lanthanum
CID 153491876
2,4-dimethylhept-1-en-4-amine
CID 152808962
N-ethyl-3-methoxy-3-methylpentan-2-imine
CID 146600156
2-(tert-butyldiazenyl)pentan-2-ol
CID 21412753
N'-(3,3-dimethylhexyl)ethanimidamide
CID 126538116
ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
N',2,2-trimethylpentanimidamide
CID 144786120

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).