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

C6H15NO — CID 14895373

IUPAC(2S,3R)-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-NTSWFWBYSA-N
MW117.19 g/mol
LogP0.49
Rot. Bonds3

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

(2S,3R)-2-aminohexan-3-ol (PubChem CID 14895373) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (2S,3R)-2-aminohexan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-aminohexan-3-ol
PubChem CID14895373
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(2S,3R)-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-NTSWFWBYSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-aminohexan-3-ol?
The IUPAC name of (2S,3R)-2-aminohexan-3-ol (CID 14895373) is (2S,3R)-2-aminohexan-3-ol.
What is the SMILES notation for (2S,3R)-2-aminohexan-3-ol?
The canonical SMILES for (2S,3R)-2-aminohexan-3-ol is CCC[C@@H](O)[C@H](C)N.
What is the InChIKey of (2S,3R)-2-aminohexan-3-ol?
The InChIKey is TXRCHGMTTXKTPE-NTSWFWBYSA-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,3R)-2-aminohexan-3-ol?
(2S,3R)-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,3R)-2-aminohexan-3-ol is sourced from PubChem (CID 14895373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).