2,2-dimethylpropylazanium chloride

C5H14ClN — CID 87350865

IUPAC2,2-dimethylpropylazanium chloride
SMILESCC(C)(C)C[NH3+].[Cl-]
InChIInChI=1S/C5H13N.ClH/c1-5(2,3)4-6;/h4,6H2,1-3H3;1H
InChIKeyFLICSJLQAITIQW-UHFFFAOYSA-N
MW123.63 g/mol
LogP-2.72
Rot. Bonds

About 2,2-dimethylpropylazanium chloride

2,2-dimethylpropylazanium chloride (PubChem CID 87350865) has the molecular formula C5H14ClN and a molecular weight of 123.63 g/mol. Its IUPAC name is 2,2-dimethylpropylazanium chloride.

Molecular Properties

Compound Name2,2-dimethylpropylazanium chloride
PubChem CID87350865
Molecular FormulaC5H14ClN
Molecular Weight123.63 g/mol
Exact Mass123.08
IUPAC Name2,2-dimethylpropylazanium chloride
SMILESCC(C)(C)C[NH3+].[Cl-]
InChIInChI=1S/C5H13N.ClH/c1-5(2,3)4-6;/h4,6H2,1-3H3;1H
InChIKeyFLICSJLQAITIQW-UHFFFAOYSA-N
XLogP-2.72
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.63
LogP ≤ 5-2.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylazanium chloride?
The IUPAC name of 2,2-dimethylpropylazanium chloride (CID 87350865) is 2,2-dimethylpropylazanium chloride.
What is the SMILES notation for 2,2-dimethylpropylazanium chloride?
The canonical SMILES for 2,2-dimethylpropylazanium chloride is CC(C)(C)C[NH3+].[Cl-].
What is the InChIKey of 2,2-dimethylpropylazanium chloride?
The InChIKey is FLICSJLQAITIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.ClH/c1-5(2,3)4-6;/h4,6H2,1-3H3;1H.
What are the key properties of 2,2-dimethylpropylazanium chloride?
2,2-dimethylpropylazanium chloride has a molecular weight of 123.63 g/mol, XLogP of -2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylazanium chloride is sourced from PubChem (CID 87350865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).