methanidyl-(2-methoxy-2-methylpropyl)azanium

C6H15NO — CID 155624932

IUPACmethanidyl-(2-methoxy-2-methylpropyl)azanium
SMILES[CH2-][NH2+]CC(C)(C)OC
InChIInChI=1S/C6H15NO/c1-6(2,8-4)5-7-3/h3,5,7H2,1-2,4H3
InChIKeyBLKNUYDHHSPYJH-UHFFFAOYSA-N
MW117.19 g/mol
LogP-0.23
Rot. Bonds3

About methanidyl-(2-methoxy-2-methylpropyl)azanium

methanidyl-(2-methoxy-2-methylpropyl)azanium (PubChem CID 155624932) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is methanidyl-(2-methoxy-2-methylpropyl)azanium.

Molecular Properties

Compound Namemethanidyl-(2-methoxy-2-methylpropyl)azanium
PubChem CID155624932
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Namemethanidyl-(2-methoxy-2-methylpropyl)azanium
SMILES[CH2-][NH2+]CC(C)(C)OC
InChIInChI=1S/C6H15NO/c1-6(2,8-4)5-7-3/h3,5,7H2,1-2,4H3
InChIKeyBLKNUYDHHSPYJH-UHFFFAOYSA-N
XLogP-0.23
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl-(2-methoxy-2-methylpropyl)azanium?
The IUPAC name of methanidyl-(2-methoxy-2-methylpropyl)azanium (CID 155624932) is methanidyl-(2-methoxy-2-methylpropyl)azanium.
What is the SMILES notation for methanidyl-(2-methoxy-2-methylpropyl)azanium?
The canonical SMILES for methanidyl-(2-methoxy-2-methylpropyl)azanium is [CH2-][NH2+]CC(C)(C)OC.
What is the InChIKey of methanidyl-(2-methoxy-2-methylpropyl)azanium?
The InChIKey is BLKNUYDHHSPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(2,8-4)5-7-3/h3,5,7H2,1-2,4H3.
What are the key properties of methanidyl-(2-methoxy-2-methylpropyl)azanium?
methanidyl-(2-methoxy-2-methylpropyl)azanium has a molecular weight of 117.19 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-(2-methoxy-2-methylpropyl)azanium is sourced from PubChem (CID 155624932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).