N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine

C14H28N2 — CID 102501008

IUPACN,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine
SMILESC[C@H](/N=C/C=N/[C@@H](C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-11(13(3,4)5)15-9-10-16-12(2)14(6,7)8/h9-12H,1-8H3/b15-9+,16-10+/t11-,12-/m0/s1
InChIKeyVHRHMJDXFLKJGZ-ZMQQEENBSA-N
MW224.39 g/mol
LogP4.00
Rot. Bonds3

About N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine

N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine (PubChem CID 102501008) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine
PubChem CID102501008
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine
SMILESC[C@H](/N=C/C=N/[C@@H](C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-11(13(3,4)5)15-9-10-16-12(2)14(6,7)8/h9-12H,1-8H3/b15-9+,16-10+/t11-,12-/m0/s1
InChIKeyVHRHMJDXFLKJGZ-ZMQQEENBSA-N
XLogP4.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine
CID 102263378
N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine
CID 610573
bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);nickel
CID 174052217
bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium
CID 159257607
N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide
CID 104830077
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)
CID 159955538
N-tert-butyl-2,3-dimethylbutan-1-imine
CID 148774649
3,3-dimethylbutan-2-ylphosphane
CID 57029329
3,3-dimethylbutan-2-olate
CID 59342742
(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine
CID 138650644
N'-(1-methoxyethyl)-N-methylethane-1,2-diimine
CID 163808550

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine?
The IUPAC name of N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine (CID 102501008) is N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine?
The canonical SMILES for N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine is C[C@H](/N=C/C=N/[C@@H](C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine?
The InChIKey is VHRHMJDXFLKJGZ-ZMQQEENBSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(13(3,4)5)15-9-10-16-12(2)14(6,7)8/h9-12H,1-8H3/b15-9+,16-10+/t11-,12-/m0/s1.
What are the key properties of N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine?
N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine has a molecular weight of 224.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine is sourced from PubChem (CID 102501008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).