[(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium

C11H24BrN2+ — CID 7166604

IUPAC[(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium
SMILESC/[NH+]=C(\NC(C)(C)C)[C@H](Br)C(C)(C)C
InChIInChI=1S/C11H23BrN2/c1-10(2,3)8(12)9(13-7)14-11(4,5)6/h8H,1-7H3,(H,13,14)/p+1/t8-/m0/s1
InChIKeyOMQHAFZKZSVFST-QMMMGPOBSA-O
MW264.23 g/mol
LogP1.29
Rot. Bonds1

About [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium

[(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium (PubChem CID 7166604) has the molecular formula C11H24BrN2+ and a molecular weight of 264.23 g/mol. Its IUPAC name is [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium.

Molecular Properties

Compound Name[(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium
PubChem CID7166604
Molecular FormulaC11H24BrN2+
Molecular Weight264.23 g/mol
Exact Mass263.11
IUPAC Name[(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium
SMILESC/[NH+]=C(\NC(C)(C)C)[C@H](Br)C(C)(C)C
InChIInChI=1S/C11H23BrN2/c1-10(2,3)8(12)9(13-7)14-11(4,5)6/h8H,1-7H3,(H,13,14)/p+1/t8-/m0/s1
InChIKeyOMQHAFZKZSVFST-QMMMGPOBSA-O
XLogP1.29
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-tert-butylazanium perchlorate
CID 132771780
[amino-(tert-butylamino)methylidene]-methylazanium
CID 58320176
2-bromo-3,3-dimethylbutanamide
CID 3015203
N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide
CID 175630515
2-bromo-N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 2778097
tert-butylcarbamothioic S-acid
CID 10394051
1,3-dibromo-4,4-dimethylpentan-2-one
CID 53440208
tert-butyl 2-bromo-3,3-dimethylbutanoate
CID 22003546
1-tert-butyl-3-[(2S)-3,3-dimethylbutan-2-yl]urea
CID 159105073
N-tert-butyl-2-chloro-3-methylbutanamide
CID 60693170
2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 12760511
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium?
The IUPAC name of [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium (CID 7166604) is [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium.
What is the SMILES notation for [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium?
The canonical SMILES for [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium is C/[NH+]=C(\NC(C)(C)C)[C@H](Br)C(C)(C)C.
What is the InChIKey of [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium?
The InChIKey is OMQHAFZKZSVFST-QMMMGPOBSA-O. The full InChI is InChI=1S/C11H23BrN2/c1-10(2,3)8(12)9(13-7)14-11(4,5)6/h8H,1-7H3,(H,13,14)/p+1/t8-/m0/s1.
What are the key properties of [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium?
[(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium has a molecular weight of 264.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium is sourced from PubChem (CID 7166604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).