[[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium

C11H26N3+ — CID 58320153

IUPAC[[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCCN(C(N(C)C)=[N+](C)C)C(C)(C)C
InChIInChI=1S/C11H26N3/c1-9-14(11(2,3)4)10(12(5)6)13(7)8/h9H2,1-8H3/q+1
InChIKeyHDSSWIMLJATZCO-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.30
Rot. Bonds1

About [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium

[[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 58320153) has the molecular formula C11H26N3+ and a molecular weight of 200.35 g/mol. Its IUPAC name is [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID58320153
Molecular FormulaC11H26N3+
Molecular Weight200.35 g/mol
Exact Mass200.21
IUPAC Name[[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCCN(C(N(C)C)=[N+](C)C)C(C)(C)C
InChIInChI=1S/C11H26N3/c1-9-14(11(2,3)4)10(12(5)6)13(7)8/h9H2,1-8H3/q+1
InChIKeyHDSSWIMLJATZCO-UHFFFAOYSA-N
XLogP1.30
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.30
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

Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride (1:1)
CID 9795249
Guanidine, N,N,N',N',N''-pentaethyl-
CID 238097
Hexaethylguanidinium bromide
CID 5744058
2-tert-Butyl-1,1,3,3-tetramethylguanidine
CID 3571581
1,1,2,3,3-Pentaisopropylguanidine
CID 10989314
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
triethyl-(N,N,N'-triethylcarbamimidoyl)azanium chloride
CID 17906762
N-propyl-tetramethylguanidine
CID 54549543
1,3-Di-tert-butylimidazolidin-2-ylidene
CID 57648271
Bis(diethylamino)methylidene-diethylazanium
CID 5744059

Frequently Asked Questions

What is the IUPAC name of [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium (CID 58320153) is [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium is CCN(C(N(C)C)=[N+](C)C)C(C)(C)C.
What is the InChIKey of [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is HDSSWIMLJATZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N3/c1-9-14(11(2,3)4)10(12(5)6)13(7)8/h9H2,1-8H3/q+1.
What are the key properties of [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
[[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 200.35 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[tert-butyl(ethyl)amino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 58320153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).