dimethyl-[3-(methylazaniumyl)propyl]azanium

C6H18N2+2 — CID 7019640

IUPACdimethyl-[3-(methylazaniumyl)propyl]azanium
SMILESC[NH2+]CCC[NH+](C)C
InChIInChI=1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3/p+2
InChIKeySORARJZLMNRBAQ-UHFFFAOYSA-P
MW118.22 g/mol
LogP-2.29
Rot. Bonds4

About dimethyl-[3-(methylazaniumyl)propyl]azanium

dimethyl-[3-(methylazaniumyl)propyl]azanium (PubChem CID 7019640) has the molecular formula C6H18N2+2 and a molecular weight of 118.22 g/mol. Its IUPAC name is dimethyl-[3-(methylazaniumyl)propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-(methylazaniumyl)propyl]azanium
PubChem CID7019640
Molecular FormulaC6H18N2+2
Molecular Weight118.22 g/mol
Exact Mass118.15
IUPAC Namedimethyl-[3-(methylazaniumyl)propyl]azanium
SMILESC[NH2+]CCC[NH+](C)C
InChIInChI=1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3/p+2
InChIKeySORARJZLMNRBAQ-UHFFFAOYSA-P
XLogP-2.29
TPSA21.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(methylazaniumyl)propyl]azanium?
The IUPAC name of dimethyl-[3-(methylazaniumyl)propyl]azanium (CID 7019640) is dimethyl-[3-(methylazaniumyl)propyl]azanium.
What is the SMILES notation for dimethyl-[3-(methylazaniumyl)propyl]azanium?
The canonical SMILES for dimethyl-[3-(methylazaniumyl)propyl]azanium is C[NH2+]CCC[NH+](C)C.
What is the InChIKey of dimethyl-[3-(methylazaniumyl)propyl]azanium?
The InChIKey is SORARJZLMNRBAQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3/p+2.
What are the key properties of dimethyl-[3-(methylazaniumyl)propyl]azanium?
dimethyl-[3-(methylazaniumyl)propyl]azanium has a molecular weight of 118.22 g/mol, XLogP of -2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(methylazaniumyl)propyl]azanium is sourced from PubChem (CID 7019640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).