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

C7H18ClNO — CID 71755380

IUPAC3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride
SMILESCC(C)(N)C(C)(C)CO.Cl
InChIInChI=1S/C7H17NO.ClH/c1-6(2,5-9)7(3,4)8;/h9H,5,8H2,1-4H3;1H
InChIKeyJAXGKAQLQTWIOK-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.16
Rot. Bonds2

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

3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride (PubChem CID 71755380) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride
PubChem CID71755380
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride
SMILESCC(C)(N)C(C)(C)CO.Cl
InChIInChI=1S/C7H17NO.ClH/c1-6(2,5-9)7(3,4)8;/h9H,5,8H2,1-4H3;1H
InChIKeyJAXGKAQLQTWIOK-UHFFFAOYSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride?
The IUPAC name of 3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride (CID 71755380) is 3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride is CC(C)(N)C(C)(C)CO.Cl.
What is the InChIKey of 3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride?
The InChIKey is JAXGKAQLQTWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-6(2,5-9)7(3,4)8;/h9H,5,8H2,1-4H3;1H.
What are the key properties of 3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride?
3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethylbutan-1-ol;hydrochloride is sourced from PubChem (CID 71755380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).