3-aminohexane-2,3-diol

C6H15NO2 — CID 87595978

IUPAC3-aminohexane-2,3-diol
SMILESCCCC(N)(O)C(C)O
InChIInChI=1S/C6H15NO2/c1-3-4-6(7,9)5(2)8/h5,8-9H,3-4,7H2,1-2H3
InChIKeyNOUXUALMTVXQCG-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.19
Rot. Bonds3

About 3-aminohexane-2,3-diol

3-aminohexane-2,3-diol (PubChem CID 87595978) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-aminohexane-2,3-diol.

Molecular Properties

Compound Name3-aminohexane-2,3-diol
PubChem CID87595978
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name3-aminohexane-2,3-diol
SMILESCCCC(N)(O)C(C)O
InChIInChI=1S/C6H15NO2/c1-3-4-6(7,9)5(2)8/h5,8-9H,3-4,7H2,1-2H3
InChIKeyNOUXUALMTVXQCG-UHFFFAOYSA-N
XLogP-0.19
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-propyloctan-4-ol
CID 18625026
4-amino-5-propyloctan-4-ol;hydrochloride
CID 173241712
3-methyl-3-propylhexan-2-ol
CID 20501676
(2S)-1-aminopropane-1,1,2-triol
CID 25141054
3-butylheptane-2,3-diol
CID 11008688
3,3,4-triaminobutan-2-ol
CID 87234105
4-methylheptane-2,3,4-triol
CID 158291327
1-amino-3-propylhexane-2,3-diol
CID 90113292
3-amino-3-methylpentan-2-ol
CID 159077240
3-methyl-3-propyloctan-2-ol
CID 20501793
3-decyltridecane-2,3-diol
CID 175905550
3,5-dimethyl-3-propylhexan-2-ol
CID 20501854

Frequently Asked Questions

What is the IUPAC name of 3-aminohexane-2,3-diol?
The IUPAC name of 3-aminohexane-2,3-diol (CID 87595978) is 3-aminohexane-2,3-diol.
What is the SMILES notation for 3-aminohexane-2,3-diol?
The canonical SMILES for 3-aminohexane-2,3-diol is CCCC(N)(O)C(C)O.
What is the InChIKey of 3-aminohexane-2,3-diol?
The InChIKey is NOUXUALMTVXQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-3-4-6(7,9)5(2)8/h5,8-9H,3-4,7H2,1-2H3.
What are the key properties of 3-aminohexane-2,3-diol?
3-aminohexane-2,3-diol has a molecular weight of 133.19 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminohexane-2,3-diol is sourced from PubChem (CID 87595978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).