[methyl-(2-methylcyclobutyl)azaniumyl]azanide

C6H14N2 — CID 163899982

IUPAC[methyl-(2-methylcyclobutyl)azaniumyl]azanide
SMILESCC1CCC1[NH+](C)[NH-]
InChIInChI=1S/C6H14N2/c1-5-3-4-6(5)8(2)7/h5-8H,3-4H2,1-2H3
InChIKeyQIYQBYZXOOFPOV-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.27
Rot. Bonds1

About [methyl-(2-methylcyclobutyl)azaniumyl]azanide

[methyl-(2-methylcyclobutyl)azaniumyl]azanide (PubChem CID 163899982) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is [methyl-(2-methylcyclobutyl)azaniumyl]azanide.

Molecular Properties

Compound Name[methyl-(2-methylcyclobutyl)azaniumyl]azanide
PubChem CID163899982
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name[methyl-(2-methylcyclobutyl)azaniumyl]azanide
SMILESCC1CCC1[NH+](C)[NH-]
InChIInChI=1S/C6H14N2/c1-5-3-4-6(5)8(2)7/h5-8H,3-4H2,1-2H3
InChIKeyQIYQBYZXOOFPOV-UHFFFAOYSA-N
XLogP0.27
TPSA28.24 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl-(2-methylcyclobutyl)azaniumyl]azanide?
The IUPAC name of [methyl-(2-methylcyclobutyl)azaniumyl]azanide (CID 163899982) is [methyl-(2-methylcyclobutyl)azaniumyl]azanide.
What is the SMILES notation for [methyl-(2-methylcyclobutyl)azaniumyl]azanide?
The canonical SMILES for [methyl-(2-methylcyclobutyl)azaniumyl]azanide is CC1CCC1[NH+](C)[NH-].
What is the InChIKey of [methyl-(2-methylcyclobutyl)azaniumyl]azanide?
The InChIKey is QIYQBYZXOOFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5-3-4-6(5)8(2)7/h5-8H,3-4H2,1-2H3.
What are the key properties of [methyl-(2-methylcyclobutyl)azaniumyl]azanide?
[methyl-(2-methylcyclobutyl)azaniumyl]azanide has a molecular weight of 114.19 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(2-methylcyclobutyl)azaniumyl]azanide is sourced from PubChem (CID 163899982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).