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

C6H16ClNO — CID 23083987

IUPAC2-amino-3,3-dimethylbutan-1-ol;hydrochloride
SMILESCC(C)(C)C(N)CO.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2,3)5(7)4-8;/h5,8H,4,7H2,1-3H3;1H
InChIKeyBFBMCXSYQJNKSS-UHFFFAOYSA-N
MW153.65 g/mol
LogP0.77
Rot. Bonds1

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

2-amino-3,3-dimethylbutan-1-ol;hydrochloride (PubChem CID 23083987) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 2-amino-3,3-dimethylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3,3-dimethylbutan-1-ol;hydrochloride
PubChem CID23083987
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name2-amino-3,3-dimethylbutan-1-ol;hydrochloride
SMILESCC(C)(C)C(N)CO.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2,3)5(7)4-8;/h5,8H,4,7H2,1-3H3;1H
InChIKeyBFBMCXSYQJNKSS-UHFFFAOYSA-N
XLogP0.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 2-amino-3,3-dimethylbutan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3,3-dimethylbutan-1-ol;hydrochloride (CID 23083987) is 2-amino-3,3-dimethylbutan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3,3-dimethylbutan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3,3-dimethylbutan-1-ol;hydrochloride is CC(C)(C)C(N)CO.Cl.
What is the InChIKey of 2-amino-3,3-dimethylbutan-1-ol;hydrochloride?
The InChIKey is BFBMCXSYQJNKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-6(2,3)5(7)4-8;/h5,8H,4,7H2,1-3H3;1H.
What are the key properties of 2-amino-3,3-dimethylbutan-1-ol;hydrochloride?
2-amino-3,3-dimethylbutan-1-ol;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethylbutan-1-ol;hydrochloride is sourced from PubChem (CID 23083987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).