6-amino-5,5-dimethylhexanoic acid;hydrochloride

C8H18ClNO2 — CID 175554592

IUPAC6-amino-5,5-dimethylhexanoic acid;hydrochloride
SMILESCC(C)(CN)CCCC(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,6-9)5-3-4-7(10)11;/h3-6,9H2,1-2H3,(H,10,11);1H
InChIKeyUSNBMUUKDJTUFM-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.65
Rot. Bonds5

About 6-amino-5,5-dimethylhexanoic acid;hydrochloride

6-amino-5,5-dimethylhexanoic acid;hydrochloride (PubChem CID 175554592) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 6-amino-5,5-dimethylhexanoic acid;hydrochloride.

Molecular Properties

Compound Name6-amino-5,5-dimethylhexanoic acid;hydrochloride
PubChem CID175554592
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name6-amino-5,5-dimethylhexanoic acid;hydrochloride
SMILESCC(C)(CN)CCCC(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,6-9)5-3-4-7(10)11;/h3-6,9H2,1-2H3,(H,10,11);1H
InChIKeyUSNBMUUKDJTUFM-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-amino-5,5-dimethylhexanoic acid;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

5,5-dimethyloct-7-enoic acid
CID 155168828
5,5-difluorohexanoic acid
CID 53418167
5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
CID 169158624
4-amino-3,3-dimethylbutanoic acid
CID 910834
6-amino-5-methyl-5-phenylhexanoic acid
CID 146308084
5-amino-4-methyl-4-sulfanylpentanoic acid
CID 21447959
4-aminobutanoic acid;2-chloro-2-methylpropane
CID 155408574
5-hydroxy-5,6,6-trimethylheptanoic acid
CID 139885308
4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid
CID 155297539
ethanamine;hexanedioic acid
CID 173189130
4-aminobutanoic acid;dihydrochloride
CID 87111723
chloromethane;pentanedioic acid
CID 159659659

Frequently Asked Questions

What is the IUPAC name of 6-amino-5,5-dimethylhexanoic acid;hydrochloride?
The IUPAC name of 6-amino-5,5-dimethylhexanoic acid;hydrochloride (CID 175554592) is 6-amino-5,5-dimethylhexanoic acid;hydrochloride.
What is the SMILES notation for 6-amino-5,5-dimethylhexanoic acid;hydrochloride?
The canonical SMILES for 6-amino-5,5-dimethylhexanoic acid;hydrochloride is CC(C)(CN)CCCC(=O)O.Cl.
What is the InChIKey of 6-amino-5,5-dimethylhexanoic acid;hydrochloride?
The InChIKey is USNBMUUKDJTUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-8(2,6-9)5-3-4-7(10)11;/h3-6,9H2,1-2H3,(H,10,11);1H.
What are the key properties of 6-amino-5,5-dimethylhexanoic acid;hydrochloride?
6-amino-5,5-dimethylhexanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,5-dimethylhexanoic acid;hydrochloride is sourced from PubChem (CID 175554592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).