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

C9H22N3+ — CID 102310479

IUPAC[(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium
SMILESCCNC(NC(C)(C)C)=[N+](C)C
InChIInChI=1S/C9H21N3/c1-7-10-8(12(5)6)11-9(2,3)4/h7H2,1-6H3,(H,10,11)/p+1
InChIKeyDGIZGQLLXSCDOX-UHFFFAOYSA-O
MW172.30 g/mol
LogP0.61
Rot. Bonds1

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

[(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium (PubChem CID 102310479) has the molecular formula C9H22N3+ and a molecular weight of 172.30 g/mol. Its IUPAC name is [(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium
PubChem CID102310479
Molecular FormulaC9H22N3+
Molecular Weight172.30 g/mol
Exact Mass172.18
IUPAC Name[(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium
SMILESCCNC(NC(C)(C)C)=[N+](C)C
InChIInChI=1S/C9H21N3/c1-7-10-8(12(5)6)11-9(2,3)4/h7H2,1-6H3,(H,10,11)/p+1
InChIKeyDGIZGQLLXSCDOX-UHFFFAOYSA-O
XLogP0.61
TPSA27.07 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
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

N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide
CID 113409920
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
[1-(ethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium
CID 141498221
1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110965781
N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111384012
N-ethyl-3-methylbut-2-en-2-amine
CID 143053447
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
1-tert-butyl-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110965066
1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 110967190
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395

Frequently Asked Questions

What is the IUPAC name of [(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium?
The IUPAC name of [(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium (CID 102310479) is [(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium is CCNC(NC(C)(C)C)=[N+](C)C.
What is the InChIKey of [(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium?
The InChIKey is DGIZGQLLXSCDOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21N3/c1-7-10-8(12(5)6)11-9(2,3)4/h7H2,1-6H3,(H,10,11)/p+1.
What are the key properties of [(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium?
[(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium has a molecular weight of 172.30 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(tert-butylamino)-(ethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 102310479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).