dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium

C6H13N3+2 — CID 153430260

IUPACdimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium
SMILESC=[N+](C)/C=N/C=[N+](C)C
InChIInChI=1S/C6H13N3/c1-8(2)5-7-6-9(3)4/h5-6H,1H2,2-4H3/q+2
InChIKeyJNFQQDGWMCMLCC-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.34
Rot. Bonds2

About dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium

dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium (PubChem CID 153430260) has the molecular formula C6H13N3+2 and a molecular weight of 127.19 g/mol. Its IUPAC name is dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium
PubChem CID153430260
Molecular FormulaC6H13N3+2
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Namedimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium
SMILESC=[N+](C)/C=N/C=[N+](C)C
InChIInChI=1S/C6H13N3/c1-8(2)5-7-6-9(3)4/h5-6H,1H2,2-4H3/q+2
InChIKeyJNFQQDGWMCMLCC-UHFFFAOYSA-N
XLogP-0.34
TPSA18.38 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.34
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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Related Compounds

1-chloroethenyliminomethyl-methyl-methylideneazanium
CID 123661735
dimethyl(methylidene)azanium;hydroiodide
CID 45051693
methyl-methylidene-prop-1-en-2-ylazanium
CID 123573311
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
methyl-methylidene-(methyliminomethylsulfanyl)azanium
CID 88935181
bis(ethylidene(dimethyl)azanium) difluoride
CID 141287550
dimethylaminomethylidene(dimethyl)azanium;hydrofluoride
CID 172692317
(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol
CID 143328048
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]ethanimine
CID 123892997
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
2-ethylsulfanylethenyl-methyl-methylideneazanium
CID 123759652
methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium
CID 142029528

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium?
The IUPAC name of dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium (CID 153430260) is dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium.
What is the SMILES notation for dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium?
The canonical SMILES for dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium is C=[N+](C)/C=N/C=[N+](C)C.
What is the InChIKey of dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium?
The InChIKey is JNFQQDGWMCMLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-8(2)5-7-6-9(3)4/h5-6H,1H2,2-4H3/q+2.
What are the key properties of dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium?
dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium has a molecular weight of 127.19 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[[methyl(methylidene)azaniumyl]methylideneamino]methylidene]azanium is sourced from PubChem (CID 153430260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).