dimethylaminomethylidene(dimethyl)azanium

C5H13N2+ — CID 3014066

IUPACdimethylaminomethylidene(dimethyl)azanium
SMILESCN(C)C=[N+](C)C
InChIInChI=1S/C5H13N2/c1-6(2)5-7(3)4/h5H,1-4H3/q+1
InChIKeyNSPYNFGENNBEKB-UHFFFAOYSA-N
MW101.17 g/mol
LogP-0.15
Rot. Bonds1

About dimethylaminomethylidene(dimethyl)azanium

dimethylaminomethylidene(dimethyl)azanium (PubChem CID 3014066) has the molecular formula C5H13N2+ and a molecular weight of 101.17 g/mol. Its IUPAC name is dimethylaminomethylidene(dimethyl)azanium.

Molecular Properties

Compound Namedimethylaminomethylidene(dimethyl)azanium
PubChem CID3014066
Molecular FormulaC5H13N2+
Molecular Weight101.17 g/mol
Exact Mass101.11
IUPAC Namedimethylaminomethylidene(dimethyl)azanium
SMILESCN(C)C=[N+](C)C
InChIInChI=1S/C5H13N2/c1-6(2)5-7(3)4/h5H,1-4H3/q+1
InChIKeyNSPYNFGENNBEKB-UHFFFAOYSA-N
XLogP-0.15
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 5-0.15
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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Frequently Asked Questions

What is the IUPAC name of dimethylaminomethylidene(dimethyl)azanium?
The IUPAC name of dimethylaminomethylidene(dimethyl)azanium (CID 3014066) is dimethylaminomethylidene(dimethyl)azanium.
What is the SMILES notation for dimethylaminomethylidene(dimethyl)azanium?
The canonical SMILES for dimethylaminomethylidene(dimethyl)azanium is CN(C)C=[N+](C)C.
What is the InChIKey of dimethylaminomethylidene(dimethyl)azanium?
The InChIKey is NSPYNFGENNBEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2/c1-6(2)5-7(3)4/h5H,1-4H3/q+1.
What are the key properties of dimethylaminomethylidene(dimethyl)azanium?
dimethylaminomethylidene(dimethyl)azanium has a molecular weight of 101.17 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminomethylidene(dimethyl)azanium is sourced from PubChem (CID 3014066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).