(2S)-3,3-dimethylbutan-2-amine;hydrochloride

C6H16ClN — CID 23520136

IUPAC(2S)-3,3-dimethylbutan-2-amine;hydrochloride
SMILESC[C@H](N)C(C)(C)C.Cl
InChIInChI=1S/C6H15N.ClH/c1-5(7)6(2,3)4;/h5H,7H2,1-4H3;1H/t5-;/m0./s1
InChIKeyDDRXUCIAWFPHKZ-JEDNCBNOSA-N
MW137.65 g/mol
LogP1.80
Rot. Bonds

About (2S)-3,3-dimethylbutan-2-amine;hydrochloride

(2S)-3,3-dimethylbutan-2-amine;hydrochloride (PubChem CID 23520136) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is (2S)-3,3-dimethylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-3,3-dimethylbutan-2-amine;hydrochloride
PubChem CID23520136
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC Name(2S)-3,3-dimethylbutan-2-amine;hydrochloride
SMILESC[C@H](N)C(C)(C)C.Cl
InChIInChI=1S/C6H15N.ClH/c1-5(7)6(2,3)4;/h5H,7H2,1-4H3;1H/t5-;/m0./s1
InChIKeyDDRXUCIAWFPHKZ-JEDNCBNOSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethylbutan-2-amine;hydrochloride?
The IUPAC name of (2S)-3,3-dimethylbutan-2-amine;hydrochloride (CID 23520136) is (2S)-3,3-dimethylbutan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-3,3-dimethylbutan-2-amine;hydrochloride?
The canonical SMILES for (2S)-3,3-dimethylbutan-2-amine;hydrochloride is C[C@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-3,3-dimethylbutan-2-amine;hydrochloride?
The InChIKey is DDRXUCIAWFPHKZ-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H15N.ClH/c1-5(7)6(2,3)4;/h5H,7H2,1-4H3;1H/t5-;/m0./s1.
What are the key properties of (2S)-3,3-dimethylbutan-2-amine;hydrochloride?
(2S)-3,3-dimethylbutan-2-amine;hydrochloride has a molecular weight of 137.65 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethylbutan-2-amine;hydrochloride is sourced from PubChem (CID 23520136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).