(3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride

C7H18ClNO — CID 75525904

IUPAC(3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride
SMILESCC(C)[C@H](N)C(C)(C)O.Cl
InChIInChI=1S/C7H17NO.ClH/c1-5(2)6(8)7(3,4)9;/h5-6,9H,8H2,1-4H3;1H/t6-;/m0./s1
InChIKeyOKJSFUGOWDKOGK-RGMNGODLSA-N
MW167.68 g/mol
LogP1.16
Rot. Bonds2

About (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride

(3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride (PubChem CID 75525904) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride
PubChem CID75525904
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name(3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride
SMILESCC(C)[C@H](N)C(C)(C)O.Cl
InChIInChI=1S/C7H17NO.ClH/c1-5(2)6(8)7(3,4)9;/h5-6,9H,8H2,1-4H3;1H/t6-;/m0./s1
InChIKeyOKJSFUGOWDKOGK-RGMNGODLSA-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 (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride (CID 75525904) is (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride is CC(C)[C@H](N)C(C)(C)O.Cl.
What is the InChIKey of (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride?
The InChIKey is OKJSFUGOWDKOGK-RGMNGODLSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-5(2)6(8)7(3,4)9;/h5-6,9H,8H2,1-4H3;1H/t6-;/m0./s1.
What are the key properties of (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride?
(3S)-3-amino-2,4-dimethylpentan-2-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 (3S)-3-amino-2,4-dimethylpentan-2-ol;hydrochloride is sourced from PubChem (CID 75525904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).