[(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium

C13H30N3+ — CID 58320197

IUPAC[(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N(C(C)(C)C)C(C)(C)C)=[N+](C)C
InChIInChI=1S/C13H30N3/c1-12(2,3)16(13(4,5)6)11(14(7)8)15(9)10/h1-10H3/q+1
InChIKeyHQWWNJSWXZAWPH-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.08
Rot. Bonds

About [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium

[(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 58320197) has the molecular formula C13H30N3+ and a molecular weight of 228.40 g/mol. Its IUPAC name is [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium
PubChem CID58320197
Molecular FormulaC13H30N3+
Molecular Weight228.40 g/mol
Exact Mass228.24
IUPAC Name[(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N(C(C)(C)C)C(C)(C)C)=[N+](C)C
InChIInChI=1S/C13H30N3/c1-12(2,3)16(13(4,5)6)11(14(7)8)15(9)10/h1-10H3/q+1
InChIKeyHQWWNJSWXZAWPH-UHFFFAOYSA-N
XLogP2.08
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Guanidine, N,N,N',N',N''-pentaethyl-
CID 238097
2-tert-Butyl-1,1,3,3-tetramethylguanidine
CID 3571581
N-t-butyl-N',N',N'',N''-tetramethylguanidine
CID 10219612
N''-tert-Butyl-N,N,N',N'-tetrapropan-2-ylguanidine
CID 12820362
Bis[di(propan-2-yl)amino]methylidene
CID 16656341
1,3-Di-tert-butylimidazolidin-2-ylidene
CID 57648271
Bis(diethylamino)methylidene-diethylazanium
CID 5744059
Bis(tetramethylguanidino)propane
CID 129860109
2-Tert-butyl-1,1,3,3-tetraethylguanidine
CID 12820357
1-Methyl-1,2,3,3-tetra(propan-2-yl)guanidine
CID 12848651
N,N,N',N'-Tetraethyl-N''-methylguanidine
CID 13127996
Bis(diethylamino)methylidene-dimethylazanium
CID 17752333

Frequently Asked Questions

What is the IUPAC name of [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium (CID 58320197) is [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium is CN(C)C(N(C(C)(C)C)C(C)(C)C)=[N+](C)C.
What is the InChIKey of [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is HQWWNJSWXZAWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N3/c1-12(2,3)16(13(4,5)6)11(14(7)8)15(9)10/h1-10H3/q+1.
What are the key properties of [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium?
[(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 228.40 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(ditert-butylamino)-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 58320197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).