3-amino-2,4-dimethylpentan-2-ol;hydrochloride

C7H18ClNO — CID 87235101

IUPAC3-amino-2,4-dimethylpentan-2-ol;hydrochloride
SMILESCC(C)C(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
InChIKeyOKJSFUGOWDKOGK-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.16
Rot. Bonds2

About 3-amino-2,4-dimethylpentan-2-ol;hydrochloride

3-amino-2,4-dimethylpentan-2-ol;hydrochloride (PubChem CID 87235101) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 3-amino-2,4-dimethylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2,4-dimethylpentan-2-ol;hydrochloride
PubChem CID87235101
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name3-amino-2,4-dimethylpentan-2-ol;hydrochloride
SMILESCC(C)C(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
InChIKeyOKJSFUGOWDKOGK-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

Analyze 3-amino-2,4-dimethylpentan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-Amino-2,4-dimethylpentan-2-ol
CID 55280976
(3S)-3-amino-2-methylbutan-2-ol hydrochloride
CID 73424833
1-Amino-1-cyclopropyl-2-methylpropan-2-ol hydrochloride
CID 77166137
4-Amino-3-ethylhexan-3-ol
CID 18515394
(R)-3-amino-2-methyl-pentan-2-ol
CID 12112803
4-Amino-3-ethyl-5-methylhexan-3-OL
CID 12379463
3-Amino-2,4-dimethylpentan-2-ol
CID 13247948
3-Amino-2,5-dimethylhexan-2-ol
CID 18373795
3-Amino-2,4,4-trimethylpentan-2-ol
CID 18373818
2-Amino-4-methyl-3-propan-2-ylpentan-3-ol
CID 18373819
3-Amino-2-methylhexan-2-ol
CID 20323471
3-Amino-2-methylpentan-2-ol
CID 20323472

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dimethylpentan-2-ol;hydrochloride?
The IUPAC name of 3-amino-2,4-dimethylpentan-2-ol;hydrochloride (CID 87235101) is 3-amino-2,4-dimethylpentan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-2,4-dimethylpentan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-2,4-dimethylpentan-2-ol;hydrochloride is CC(C)C(N)C(C)(C)O.Cl.
What is the InChIKey of 3-amino-2,4-dimethylpentan-2-ol;hydrochloride?
The InChIKey is OKJSFUGOWDKOGK-UHFFFAOYSA-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.
What are the key properties of 3-amino-2,4-dimethylpentan-2-ol;hydrochloride?
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 3-amino-2,4-dimethylpentan-2-ol;hydrochloride is sourced from PubChem (CID 87235101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).