methyl-[4-(methylazaniumyl)butyl]azanium

C6H18N2+2 — CID 86306198

IUPACmethyl-[4-(methylazaniumyl)butyl]azanium
SMILESC[NH2+]CCCC[NH2+]C
InChIInChI=1S/C6H16N2/c1-7-5-3-4-6-8-2/h7-8H,3-6H2,1-2H3/p+2
InChIKeyCZPRYVBLOUZRGD-UHFFFAOYSA-P
MW118.22 g/mol
LogP-1.85
Rot. Bonds5

About methyl-[4-(methylazaniumyl)butyl]azanium

methyl-[4-(methylazaniumyl)butyl]azanium (PubChem CID 86306198) has the molecular formula C6H18N2+2 and a molecular weight of 118.22 g/mol. Its IUPAC name is methyl-[4-(methylazaniumyl)butyl]azanium.

Molecular Properties

Compound Namemethyl-[4-(methylazaniumyl)butyl]azanium
PubChem CID86306198
Molecular FormulaC6H18N2+2
Molecular Weight118.22 g/mol
Exact Mass118.15
IUPAC Namemethyl-[4-(methylazaniumyl)butyl]azanium
SMILESC[NH2+]CCCC[NH2+]C
InChIInChI=1S/C6H16N2/c1-7-5-3-4-6-8-2/h7-8H,3-6H2,1-2H3/p+2
InChIKeyCZPRYVBLOUZRGD-UHFFFAOYSA-P
XLogP-1.85
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 5-1.85
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 methyl-[4-(methylazaniumyl)butyl]azanium?
The IUPAC name of methyl-[4-(methylazaniumyl)butyl]azanium (CID 86306198) is methyl-[4-(methylazaniumyl)butyl]azanium.
What is the SMILES notation for methyl-[4-(methylazaniumyl)butyl]azanium?
The canonical SMILES for methyl-[4-(methylazaniumyl)butyl]azanium is C[NH2+]CCCC[NH2+]C.
What is the InChIKey of methyl-[4-(methylazaniumyl)butyl]azanium?
The InChIKey is CZPRYVBLOUZRGD-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H16N2/c1-7-5-3-4-6-8-2/h7-8H,3-6H2,1-2H3/p+2.
What are the key properties of methyl-[4-(methylazaniumyl)butyl]azanium?
methyl-[4-(methylazaniumyl)butyl]azanium has a molecular weight of 118.22 g/mol, XLogP of -1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(methylazaniumyl)butyl]azanium is sourced from PubChem (CID 86306198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).