2,3,6,7-tetramethyloctane-4,5-diimine

C12H24N2 — CID 54545006

IUPAC2,3,6,7-tetramethyloctane-4,5-diimine
SMILES[H]/N=C(C(=N/[H])/C(C)C(C)C)\C(C)C(C)C
InChIInChI=1S/C12H24N2/c1-7(2)9(5)11(13)12(14)10(6)8(3)4/h7-10,13-14H,1-6H3/b13-11+,14-12+
InChIKeyZFXGQOABVJXXEP-PHEQNACWSA-N
MW196.34 g/mol
LogP3.61
Rot. Bonds5

About 2,3,6,7-tetramethyloctane-4,5-diimine

2,3,6,7-tetramethyloctane-4,5-diimine (PubChem CID 54545006) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2,3,6,7-tetramethyloctane-4,5-diimine.

Molecular Properties

Compound Name2,3,6,7-tetramethyloctane-4,5-diimine
PubChem CID54545006
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2,3,6,7-tetramethyloctane-4,5-diimine
SMILES[H]/N=C(C(=N/[H])/C(C)C(C)C)\C(C)C(C)C
InChIInChI=1S/C12H24N2/c1-7(2)9(5)11(13)12(14)10(6)8(3)4/h7-10,13-14H,1-6H3/b13-11+,14-12+
InChIKeyZFXGQOABVJXXEP-PHEQNACWSA-N
XLogP3.61
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Acetone, 1-(6-methylhept-2-yl)hydrazone
CID 9570869
N-cyclohexylpropylideneimine
CID 278552
4-Fluoro-4,5-dimethylcycloheptan-1-imine
CID 123648017
2,6-Dimethylheptan-4-imine
CID 333868
Diisobutyl ketazine
CID 177896124
2,5-Dimethylhexane-3,4-diimine
CID 53686471
2,7-Dimethyloctane-4,5-diimine
CID 53784675
2,3,5,6-Tetramethylheptan-4-imine
CID 53984489
2,3,3,5,5,6-Hexamethylheptan-4-imine
CID 53993316
4-Ethyl-2,2-dimethylheptan-3-imine
CID 54163298
2-Isopropyl-5-methylcyclohexanimine
CID 56617767
8,10-Dihexylheptadecan-9-imine
CID 57042993

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyloctane-4,5-diimine?
The IUPAC name of 2,3,6,7-tetramethyloctane-4,5-diimine (CID 54545006) is 2,3,6,7-tetramethyloctane-4,5-diimine.
What is the SMILES notation for 2,3,6,7-tetramethyloctane-4,5-diimine?
The canonical SMILES for 2,3,6,7-tetramethyloctane-4,5-diimine is [H]/N=C(C(=N/[H])/C(C)C(C)C)\C(C)C(C)C.
What is the InChIKey of 2,3,6,7-tetramethyloctane-4,5-diimine?
The InChIKey is ZFXGQOABVJXXEP-PHEQNACWSA-N. The full InChI is InChI=1S/C12H24N2/c1-7(2)9(5)11(13)12(14)10(6)8(3)4/h7-10,13-14H,1-6H3/b13-11+,14-12+.
What are the key properties of 2,3,6,7-tetramethyloctane-4,5-diimine?
2,3,6,7-tetramethyloctane-4,5-diimine has a molecular weight of 196.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyloctane-4,5-diimine is sourced from PubChem (CID 54545006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).