tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium

C12H24N+ — CID 58765978

IUPACtert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium
SMILESC/[N+](=C\C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N/c1-11(2,3)9-8-10-13(7)12(4,5)6/h8-10H,1-7H3/q+1/b9-8-,13-10+
InChIKeyVXLXQYMNFNRLGK-JQHRQWORSA-N
MW182.33 g/mol
LogP3.10
Rot. Bonds1

About tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium

tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium (PubChem CID 58765978) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium.

Molecular Properties

Compound Nametert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium
PubChem CID58765978
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Nametert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium
SMILESC/[N+](=C\C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N/c1-11(2,3)9-8-10-13(7)12(4,5)6/h8-10H,1-7H3/q+1/b9-8-,13-10+
InChIKeyVXLXQYMNFNRLGK-JQHRQWORSA-N
XLogP3.10
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium?
The IUPAC name of tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium (CID 58765978) is tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium.
What is the SMILES notation for tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium?
The canonical SMILES for tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium is C/[N+](=C\C=C/C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium?
The InChIKey is VXLXQYMNFNRLGK-JQHRQWORSA-N. The full InChI is InChI=1S/C12H24N/c1-11(2,3)9-8-10-13(7)12(4,5)6/h8-10H,1-7H3/q+1/b9-8-,13-10+.
What are the key properties of tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium?
tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium has a molecular weight of 182.33 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium is sourced from PubChem (CID 58765978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).