(2S)-2-aminohex-5-en-3-ol;hydrochloride

C6H14ClNO — CID 134542806

IUPAC(2S)-2-aminohex-5-en-3-ol;hydrochloride
SMILESC=CCC(O)[C@H](C)N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-4-6(8)5(2)7;/h3,5-6,8H,1,4,7H2,2H3;1H/t5-,6?;/m0./s1
InChIKeyBDTKXSYSZLVCCV-GNVLWMSISA-N
MW151.64 g/mol
LogP0.69
Rot. Bonds3

About (2S)-2-aminohex-5-en-3-ol;hydrochloride

(2S)-2-aminohex-5-en-3-ol;hydrochloride (PubChem CID 134542806) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (2S)-2-aminohex-5-en-3-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-aminohex-5-en-3-ol;hydrochloride
PubChem CID134542806
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(2S)-2-aminohex-5-en-3-ol;hydrochloride
SMILESC=CCC(O)[C@H](C)N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-4-6(8)5(2)7;/h3,5-6,8H,1,4,7H2,2H3;1H/t5-,6?;/m0./s1
InChIKeyBDTKXSYSZLVCCV-GNVLWMSISA-N
XLogP0.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-aminohex-5-en-3-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohex-5-en-3-ol;hydrochloride?
The IUPAC name of (2S)-2-aminohex-5-en-3-ol;hydrochloride (CID 134542806) is (2S)-2-aminohex-5-en-3-ol;hydrochloride.
What is the SMILES notation for (2S)-2-aminohex-5-en-3-ol;hydrochloride?
The canonical SMILES for (2S)-2-aminohex-5-en-3-ol;hydrochloride is C=CCC(O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-aminohex-5-en-3-ol;hydrochloride?
The InChIKey is BDTKXSYSZLVCCV-GNVLWMSISA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-3-4-6(8)5(2)7;/h3,5-6,8H,1,4,7H2,2H3;1H/t5-,6?;/m0./s1.
What are the key properties of (2S)-2-aminohex-5-en-3-ol;hydrochloride?
(2S)-2-aminohex-5-en-3-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohex-5-en-3-ol;hydrochloride is sourced from PubChem (CID 134542806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).