[bis(dimethylamino)methylideneamino]-trimethylazanium

C8H21N4+ — CID 145088193

IUPAC[bis(dimethylamino)methylideneamino]-trimethylazanium
SMILESCN(C)C(=N[N+](C)(C)C)N(C)C
InChIInChI=1S/C8H21N4/c1-10(2)8(11(3)4)9-12(5,6)7/h1-7H3/q+1
InChIKeyHBPACTXYXWBCRI-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.09
Rot. Bonds1

About [bis(dimethylamino)methylideneamino]-trimethylazanium

[bis(dimethylamino)methylideneamino]-trimethylazanium (PubChem CID 145088193) has the molecular formula C8H21N4+ and a molecular weight of 173.28 g/mol. Its IUPAC name is [bis(dimethylamino)methylideneamino]-trimethylazanium.

Molecular Properties

Compound Name[bis(dimethylamino)methylideneamino]-trimethylazanium
PubChem CID145088193
Molecular FormulaC8H21N4+
Molecular Weight173.28 g/mol
Exact Mass173.18
IUPAC Name[bis(dimethylamino)methylideneamino]-trimethylazanium
SMILESCN(C)C(=N[N+](C)(C)C)N(C)C
InChIInChI=1S/C8H21N4/c1-10(2)8(11(3)4)9-12(5,6)7/h1-7H3/q+1
InChIKeyHBPACTXYXWBCRI-UHFFFAOYSA-N
XLogP0.09
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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_2', 'substructure': 'N/A'}

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Related Compounds

tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride
CID 160570249
CID 155632794
CID 155632794
2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine
CID 54599100
1-chloro-1,2,3,3-tetramethylguanidine
CID 53439431
1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine
CID 91478563
1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine
CID 58112258
N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide
CID 87279008
2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 101376340
2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine
CID 90350369
CID 155632790
CID 155632790
1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine
CID 122097884
copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide
CID 169422766

Frequently Asked Questions

What is the IUPAC name of [bis(dimethylamino)methylideneamino]-trimethylazanium?
The IUPAC name of [bis(dimethylamino)methylideneamino]-trimethylazanium (CID 145088193) is [bis(dimethylamino)methylideneamino]-trimethylazanium.
What is the SMILES notation for [bis(dimethylamino)methylideneamino]-trimethylazanium?
The canonical SMILES for [bis(dimethylamino)methylideneamino]-trimethylazanium is CN(C)C(=N[N+](C)(C)C)N(C)C.
What is the InChIKey of [bis(dimethylamino)methylideneamino]-trimethylazanium?
The InChIKey is HBPACTXYXWBCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N4/c1-10(2)8(11(3)4)9-12(5,6)7/h1-7H3/q+1.
What are the key properties of [bis(dimethylamino)methylideneamino]-trimethylazanium?
[bis(dimethylamino)methylideneamino]-trimethylazanium has a molecular weight of 173.28 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(dimethylamino)methylideneamino]-trimethylazanium is sourced from PubChem (CID 145088193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).