[(2R)-3,3-dimethylbutan-2-yl]azanium chloride

C6H16ClN — CID 134942137

IUPAC[(2R)-3,3-dimethylbutan-2-yl]azanium chloride
SMILESC[C@@H]([NH3+])C(C)(C)C.[Cl-]
InChIInChI=1S/C6H15N.ClH/c1-5(7)6(2,3)4;/h5H,7H2,1-4H3;1H/t5-;/m1./s1
InChIKeyDDRXUCIAWFPHKZ-NUBCRITNSA-N
MW137.65 g/mol
LogP-2.33
Rot. Bonds

About [(2R)-3,3-dimethylbutan-2-yl]azanium chloride

[(2R)-3,3-dimethylbutan-2-yl]azanium chloride (PubChem CID 134942137) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is [(2R)-3,3-dimethylbutan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2R)-3,3-dimethylbutan-2-yl]azanium chloride
PubChem CID134942137
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC Name[(2R)-3,3-dimethylbutan-2-yl]azanium chloride
SMILESC[C@@H]([NH3+])C(C)(C)C.[Cl-]
InChIInChI=1S/C6H15N.ClH/c1-5(7)6(2,3)4;/h5H,7H2,1-4H3;1H/t5-;/m1./s1
InChIKeyDDRXUCIAWFPHKZ-NUBCRITNSA-N
XLogP-2.33
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.65
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze [(2R)-3,3-dimethylbutan-2-yl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethylbutan-2-yl]azanium chloride?
The IUPAC name of [(2R)-3,3-dimethylbutan-2-yl]azanium chloride (CID 134942137) is [(2R)-3,3-dimethylbutan-2-yl]azanium chloride.
What is the SMILES notation for [(2R)-3,3-dimethylbutan-2-yl]azanium chloride?
The canonical SMILES for [(2R)-3,3-dimethylbutan-2-yl]azanium chloride is C[C@@H]([NH3+])C(C)(C)C.[Cl-].
What is the InChIKey of [(2R)-3,3-dimethylbutan-2-yl]azanium chloride?
The InChIKey is DDRXUCIAWFPHKZ-NUBCRITNSA-N. The full InChI is InChI=1S/C6H15N.ClH/c1-5(7)6(2,3)4;/h5H,7H2,1-4H3;1H/t5-;/m1./s1.
What are the key properties of [(2R)-3,3-dimethylbutan-2-yl]azanium chloride?
[(2R)-3,3-dimethylbutan-2-yl]azanium chloride has a molecular weight of 137.65 g/mol, XLogP of -2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethylbutan-2-yl]azanium chloride is sourced from PubChem (CID 134942137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).