8-ethyl-3,6,7,7-tetramethyldecan-5-imine

C16H33N — CID 123615582

IUPAC8-ethyl-3,6,7,7-tetramethyldecan-5-imine
SMILES[H]/N=C(\CC(C)CC)C(C)C(C)(C)C(CC)CC
InChIInChI=1S/C16H33N/c1-8-12(4)11-15(17)13(5)16(6,7)14(9-2)10-3/h12-14,17H,8-11H2,1-7H3/b17-15+
InChIKeyVIWVTNJHSWQONY-BMRADRMJSA-N
MW239.45 g/mol
LogP5.54
Rot. Bonds8

About 8-ethyl-3,6,7,7-tetramethyldecan-5-imine

8-ethyl-3,6,7,7-tetramethyldecan-5-imine (PubChem CID 123615582) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 8-ethyl-3,6,7,7-tetramethyldecan-5-imine.

Molecular Properties

Compound Name8-ethyl-3,6,7,7-tetramethyldecan-5-imine
PubChem CID123615582
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name8-ethyl-3,6,7,7-tetramethyldecan-5-imine
SMILES[H]/N=C(\CC(C)CC)C(C)C(C)(C)C(CC)CC
InChIInChI=1S/C16H33N/c1-8-12(4)11-15(17)13(5)16(6,7)14(9-2)10-3/h12-14,17H,8-11H2,1-7H3/b17-15+
InChIKeyVIWVTNJHSWQONY-BMRADRMJSA-N
XLogP5.54
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 123559173
tert-butyl 2-imino-4-methylhexanoate
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CID 130457051
4,7-dimethylnonan-2-imine
CID 123346808
(2,5-dimethyl-3-methylideneheptan-2-yl)phosphane
CID 170214631
2-fluoro-2,5-dimethylheptan-3-one
CID 130562222
4,5-dimethylhexan-3-imine
CID 123589551
N-formyl-N,3-dimethylpentanamide
CID 142974327
tert-butyl (3R)-3-methylpentanoate
CID 158245009
3-hydroxy-3,6-dimethyloctan-4-one
CID 103446752
(5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene
CID 20695172
N,2,2-trimethyl-N-pentan-3-ylpropanimidamide
CID 63175548

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,6,7,7-tetramethyldecan-5-imine?
The IUPAC name of 8-ethyl-3,6,7,7-tetramethyldecan-5-imine (CID 123615582) is 8-ethyl-3,6,7,7-tetramethyldecan-5-imine.
What is the SMILES notation for 8-ethyl-3,6,7,7-tetramethyldecan-5-imine?
The canonical SMILES for 8-ethyl-3,6,7,7-tetramethyldecan-5-imine is [H]/N=C(\CC(C)CC)C(C)C(C)(C)C(CC)CC.
What is the InChIKey of 8-ethyl-3,6,7,7-tetramethyldecan-5-imine?
The InChIKey is VIWVTNJHSWQONY-BMRADRMJSA-N. The full InChI is InChI=1S/C16H33N/c1-8-12(4)11-15(17)13(5)16(6,7)14(9-2)10-3/h12-14,17H,8-11H2,1-7H3/b17-15+.
What are the key properties of 8-ethyl-3,6,7,7-tetramethyldecan-5-imine?
8-ethyl-3,6,7,7-tetramethyldecan-5-imine has a molecular weight of 239.45 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,6,7,7-tetramethyldecan-5-imine is sourced from PubChem (CID 123615582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).