methanidyl(3-methylbutan-2-yl)azanium

C6H15N — CID 20723112

IUPACmethanidyl(3-methylbutan-2-yl)azanium
SMILES[CH2-][NH2+]C(C)C(C)C
InChIInChI=1S/C6H15N/c1-5(2)6(3)7-4/h5-6H,4,7H2,1-3H3
InChIKeyMKAHDSFBZNOQOE-UHFFFAOYSA-N
MW101.19 g/mol
LogP0.39
Rot. Bonds2

About methanidyl(3-methylbutan-2-yl)azanium

methanidyl(3-methylbutan-2-yl)azanium (PubChem CID 20723112) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is methanidyl(3-methylbutan-2-yl)azanium.

Molecular Properties

Compound Namemethanidyl(3-methylbutan-2-yl)azanium
PubChem CID20723112
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC Namemethanidyl(3-methylbutan-2-yl)azanium
SMILES[CH2-][NH2+]C(C)C(C)C
InChIInChI=1S/C6H15N/c1-5(2)6(3)7-4/h5-6H,4,7H2,1-3H3
InChIKeyMKAHDSFBZNOQOE-UHFFFAOYSA-N
XLogP0.39
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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(3-methylbutan-2-yl)azanium?
The IUPAC name of methanidyl(3-methylbutan-2-yl)azanium (CID 20723112) is methanidyl(3-methylbutan-2-yl)azanium.
What is the SMILES notation for methanidyl(3-methylbutan-2-yl)azanium?
The canonical SMILES for methanidyl(3-methylbutan-2-yl)azanium is [CH2-][NH2+]C(C)C(C)C.
What is the InChIKey of methanidyl(3-methylbutan-2-yl)azanium?
The InChIKey is MKAHDSFBZNOQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N/c1-5(2)6(3)7-4/h5-6H,4,7H2,1-3H3.
What are the key properties of methanidyl(3-methylbutan-2-yl)azanium?
methanidyl(3-methylbutan-2-yl)azanium has a molecular weight of 101.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(3-methylbutan-2-yl)azanium is sourced from PubChem (CID 20723112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).