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

C9H23N4+ — CID 143947920

IUPAC[[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N(N)C(C)(C)C)=[N+](C)C
InChIInChI=1S/C9H23N4/c1-9(2,3)13(10)8(11(4)5)12(6)7/h10H2,1-7H3/q+1
InChIKeySSERFNUCOIHKLV-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.15
Rot. Bonds

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

[[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 143947920) has the molecular formula C9H23N4+ and a molecular weight of 187.31 g/mol. Its IUPAC name is [[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID143947920
Molecular FormulaC9H23N4+
Molecular Weight187.31 g/mol
Exact Mass187.19
IUPAC Name[[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N(N)C(C)(C)C)=[N+](C)C
InChIInChI=1S/C9H23N4/c1-9(2,3)13(10)8(11(4)5)12(6)7/h10H2,1-7H3/q+1
InChIKeySSERFNUCOIHKLV-UHFFFAOYSA-N
XLogP0.15
TPSA35.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

bis(dimethylamino)methylidene-dimethylazanium thiocyanate
CID 13127974
[1-[1-(dimethylamino)-2,2-dimethylpropylidene]phosphanyl-2,2-dimethylpropylidene]-dimethylazanium chloride
CID 134891357
(E)-N,N,3,4,4-pentamethylpent-2-en-2-amine
CID 166688460
1-amino-1-tert-butyl-3-methylthiourea
CID 22975155
[dimethylamino-(dioctylamino)methylidene]-dimethylazanium
CID 13127883
(Z)-N,N,3,4,4,5,5-heptamethylhex-2-en-2-amine
CID 160974386
N-tert-butylbutanehydrazide
CID 70295637
CID 140801860
CID 140801860
N-amino-N-(dimethylamino)methanamine
CID 57458956
N-amino-N-methylhydroxylamine
CID 15168490
[amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
CID 3764166
[bromo(dimethylamino)methylidene]-dimethylazanium bromide
CID 12638401

Frequently Asked Questions

What is the IUPAC name of [[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium (CID 143947920) is [[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium is CN(C)C(N(N)C(C)(C)C)=[N+](C)C.
What is the InChIKey of [[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is SSERFNUCOIHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N4/c1-9(2,3)13(10)8(11(4)5)12(6)7/h10H2,1-7H3/q+1.
What are the key properties of [[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
[[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 187.31 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(tert-butyl)amino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 143947920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).