(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium

C7H16N3+ — CID 2758496

IUPAC(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium
SMILESCN1CCN(C)C1=[N+](C)C
InChIInChI=1S/C7H16N3/c1-8(2)7-9(3)5-6-10(7)4/h5-6H2,1-4H3/q+1
InChIKeyPPHHBZUEUDPUCX-UHFFFAOYSA-N
MW142.23 g/mol
LogP-0.51
Rot. Bonds

About (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium

(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium (PubChem CID 2758496) has the molecular formula C7H16N3+ and a molecular weight of 142.23 g/mol. Its IUPAC name is (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium
PubChem CID2758496
Molecular FormulaC7H16N3+
Molecular Weight142.23 g/mol
Exact Mass142.13
IUPAC Name(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium
SMILESCN1CCN(C)C1=[N+](C)C
InChIInChI=1S/C7H16N3/c1-8(2)7-9(3)5-6-10(7)4/h5-6H2,1-4H3/q+1
InChIKeyPPHHBZUEUDPUCX-UHFFFAOYSA-N
XLogP-0.51
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-((Bis(dimethylamino)methylene)amino)-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium chloride
CID 16202449
2-Diazonioimino-1,3-dimethylimidazolidine
CID 53342900
1,3-dimethyl-4,5-dihydro-2H-imidazol-1-ium-2-ide
CID 59380814
Bis(dimethylamino)methylidene-(1,3-dimethylimidazolidin-2-ylidene)azanium
CID 16202450
N,1,3-trimethylimidazolidin-2-imine
CID 15965651
1-Butanamine, N-(1,3-dimethyl-2-imidazolidinylidene)-
CID 12105477
N-(1,3-dimethylimidazolidin-2-ylidene)-N-methylmethanaminium hydrogendifluoride
CID 126970741
1-Dimethyl-aminoethyl imidazoline
CID 129730099
N-ethyl-N,1-dimethyl-4,5-dihydroimidazol-2-amine
CID 18728198
N,N,1-trimethyl-4,5-dihydroimidazol-2-amine
CID 21134150
N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine
CID 23026347
Dimethyl-(1,3,4-trimethylimidazolidin-2-ylidene)azanium
CID 23026366

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium?
The IUPAC name of (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium (CID 2758496) is (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium.
What is the SMILES notation for (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium?
The canonical SMILES for (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium is CN1CCN(C)C1=[N+](C)C.
What is the InChIKey of (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium?
The InChIKey is PPHHBZUEUDPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3/c1-8(2)7-9(3)5-6-10(7)4/h5-6H2,1-4H3/q+1.
What are the key properties of (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium?
(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium has a molecular weight of 142.23 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium is sourced from PubChem (CID 2758496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).