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

C9H22N3+ — CID 51385382

IUPAC[(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(NC(C)(C)C)=[N+](C)C
InChIInChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3/p+1
InChIKeyYQHJFPFNGVDEDT-UHFFFAOYSA-O
MW172.30 g/mol
LogP0.56
Rot. Bonds

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

[(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 51385382) has the molecular formula C9H22N3+ and a molecular weight of 172.30 g/mol. Its IUPAC name is [(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium
PubChem CID51385382
Molecular FormulaC9H22N3+
Molecular Weight172.30 g/mol
Exact Mass172.18
IUPAC Name[(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(NC(C)(C)C)=[N+](C)C
InChIInChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3/p+1
InChIKeyYQHJFPFNGVDEDT-UHFFFAOYSA-O
XLogP0.56
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
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, 2-cyano-1-(3-(dimethylamino)propyl)-3-tert-pentyl-
CID 3050792
N-t-butyl-N',N',N'',N''-tetramethylguanidine
CID 10219612
2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine
CID 11128455
1,2-Ditert-butyl-3-cyanoguanidine
CID 12738593
1,1-Diethyl-2,3-di(propan-2-yl)guanidine
CID 15827441
1-Methyl-1-(2-methylpropyl)-2,3-di(propan-2-yl)guanidine
CID 101405084
Dilithium bis(tert-butyl-[tert-butylazaniumylidene(dimethylamino)methyl]azanide)
CID 168337708
(4,4-Dimethyl(2-imidazolin-2-yl))dimethylamine
CID 4433485
1,1-Dimethyl-2,3-di(propan-2-yl)guanidine
CID 11386629
1,1,2,3-Tetra(propan-2-yl)guanidine
CID 12848653
1-Tert-butyl-2-methylguanidine
CID 18952136
1,1,2-Trimethyl-3-(2-methylpropyl)guanidine
CID 20715202

Frequently Asked Questions

What is the IUPAC name of [(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium (CID 51385382) is [(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium is CN(C)C(NC(C)(C)C)=[N+](C)C.
What is the InChIKey of [(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is YQHJFPFNGVDEDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3/p+1.
What are the key properties of [(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium?
[(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 172.30 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 51385382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).