2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium

C6H18N4+2 — CID 171149030

IUPAC2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium
SMILESC[N+](C)(C)CC[NH+]=C(N)N
InChIInChI=1S/C6H17N4/c1-10(2,3)5-4-9-6(7)8/h4-5H2,1-3H3,(H4,7,8,9)/q+1/p+1
InChIKeyDDXMWRZVEXEGTE-UHFFFAOYSA-O
MW146.24 g/mol
LogP-2.95
Rot. Bonds3

About 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium

2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium (PubChem CID 171149030) has the molecular formula C6H18N4+2 and a molecular weight of 146.24 g/mol. Its IUPAC name is 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium
PubChem CID171149030
Molecular FormulaC6H18N4+2
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Name2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium
SMILESC[N+](C)(C)CC[NH+]=C(N)N
InChIInChI=1S/C6H17N4/c1-10(2,3)5-4-9-6(7)8/h4-5H2,1-3H3,(H4,7,8,9)/q+1/p+1
InChIKeyDDXMWRZVEXEGTE-UHFFFAOYSA-O
XLogP-2.95
TPSA66.01 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-2.95
H-Bond Donors ≤ 53
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_2', 'substructure': 'N/A'}

Analyze 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
CID 23615624
2-hydroxyethyl(trimethyl)azanium;urea;hydroxide
CID 175396514
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
CID 71381310
diaminomethylidene(ethyl)azanium;ethene
CID 158043587
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
2-aminoethyl(trimethyl)azanium hydroxide
CID 23084973
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium?
The IUPAC name of 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium (CID 171149030) is 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium.
What is the SMILES notation for 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium?
The canonical SMILES for 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium is C[N+](C)(C)CC[NH+]=C(N)N.
What is the InChIKey of 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium?
The InChIKey is DDXMWRZVEXEGTE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H17N4/c1-10(2,3)5-4-9-6(7)8/h4-5H2,1-3H3,(H4,7,8,9)/q+1/p+1.
What are the key properties of 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium?
2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium has a molecular weight of 146.24 g/mol, XLogP of -2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium is sourced from PubChem (CID 171149030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).