(2S,3S)-2-aminohexan-3-ol

C6H15NO — CID 55285025

IUPAC(2S,3S)-2-aminohexan-3-ol
SMILESCCC[C@H](O)[C@H](C)N
InChIInChI=1S/C6H15NO/c1-3-4-6(8)5(2)7/h5-6,8H,3-4,7H2,1-2H3/t5-,6-/m0/s1
InChIKeyTXRCHGMTTXKTPE-WDSKDSINSA-N
MW117.19 g/mol
LogP0.49
Rot. Bonds3

About (2S,3S)-2-aminohexan-3-ol

(2S,3S)-2-aminohexan-3-ol (PubChem CID 55285025) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (2S,3S)-2-aminohexan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-aminohexan-3-ol
PubChem CID55285025
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(2S,3S)-2-aminohexan-3-ol
SMILESCCC[C@H](O)[C@H](C)N
InChIInChI=1S/C6H15NO/c1-3-4-6(8)5(2)7/h5-6,8H,3-4,7H2,1-2H3/t5-,6-/m0/s1
InChIKeyTXRCHGMTTXKTPE-WDSKDSINSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-2-aminohexan-3-ol 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

(2S,3S)-2-aminoundecan-3-ol
CID 132514193
2-aminotetradecan-3-ol
CID 10198494
2-amino-3-ethylheptan-4-ol
CID 146264910
hexane-2,3-diol
CID 159913798
1,2-diaminohexane-1,3-diol
CID 91068082
octane-4,5-diol;hydrate
CID 141056272
decane-4,5,6,7-tetrol
CID 73238857
octane-1,3,4,5-tetrol
CID 18506400
(2S,3R)-2-aminooctadec-14-en-3-ol
CID 171149144
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608
(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
5-propan-2-yloctan-4-ol
CID 23385171

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-aminohexan-3-ol?
The IUPAC name of (2S,3S)-2-aminohexan-3-ol (CID 55285025) is (2S,3S)-2-aminohexan-3-ol.
What is the SMILES notation for (2S,3S)-2-aminohexan-3-ol?
The canonical SMILES for (2S,3S)-2-aminohexan-3-ol is CCC[C@H](O)[C@H](C)N.
What is the InChIKey of (2S,3S)-2-aminohexan-3-ol?
The InChIKey is TXRCHGMTTXKTPE-WDSKDSINSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-4-6(8)5(2)7/h5-6,8H,3-4,7H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-aminohexan-3-ol?
(2S,3S)-2-aminohexan-3-ol has a molecular weight of 117.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-aminohexan-3-ol is sourced from PubChem (CID 55285025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).