3-amino-2,3-dimethylbutan-1-ol;hydrochloride

C6H16ClNO — CID 173013656

IUPAC3-amino-2,3-dimethylbutan-1-ol;hydrochloride
SMILESCC(CO)C(C)(C)N.Cl
InChIInChI=1S/C6H15NO.ClH/c1-5(4-8)6(2,3)7;/h5,8H,4,7H2,1-3H3;1H
InChIKeyZTWQBGPYBQCNRV-UHFFFAOYSA-N
MW153.65 g/mol
LogP0.77
Rot. Bonds2

About 3-amino-2,3-dimethylbutan-1-ol;hydrochloride

3-amino-2,3-dimethylbutan-1-ol;hydrochloride (PubChem CID 173013656) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 3-amino-2,3-dimethylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2,3-dimethylbutan-1-ol;hydrochloride
PubChem CID173013656
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name3-amino-2,3-dimethylbutan-1-ol;hydrochloride
SMILESCC(CO)C(C)(C)N.Cl
InChIInChI=1S/C6H15NO.ClH/c1-5(4-8)6(2,3)7;/h5,8H,4,7H2,1-3H3;1H
InChIKeyZTWQBGPYBQCNRV-UHFFFAOYSA-N
XLogP0.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-dimethylbutan-1-ol;hydrochloride?
The IUPAC name of 3-amino-2,3-dimethylbutan-1-ol;hydrochloride (CID 173013656) is 3-amino-2,3-dimethylbutan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-2,3-dimethylbutan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-2,3-dimethylbutan-1-ol;hydrochloride is CC(CO)C(C)(C)N.Cl.
What is the InChIKey of 3-amino-2,3-dimethylbutan-1-ol;hydrochloride?
The InChIKey is ZTWQBGPYBQCNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-5(4-8)6(2,3)7;/h5,8H,4,7H2,1-3H3;1H.
What are the key properties of 3-amino-2,3-dimethylbutan-1-ol;hydrochloride?
3-amino-2,3-dimethylbutan-1-ol;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-dimethylbutan-1-ol;hydrochloride is sourced from PubChem (CID 173013656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).