(2R,3R)-3-(methylamino)hexane-1,2-diol

C7H17NO2 — CID 55287871

IUPAC(2R,3R)-3-(methylamino)hexane-1,2-diol
SMILESCCC[C@@H](NC)[C@@H](O)CO
InChIInChI=1S/C7H17NO2/c1-3-4-6(8-2)7(10)5-9/h6-10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyRQFZNTMCPUZGBI-RQJHMYQMSA-N
MW147.22 g/mol
LogP-0.27
Rot. Bonds5

About (2R,3R)-3-(methylamino)hexane-1,2-diol

(2R,3R)-3-(methylamino)hexane-1,2-diol (PubChem CID 55287871) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2R,3R)-3-(methylamino)hexane-1,2-diol.

Molecular Properties

Compound Name(2R,3R)-3-(methylamino)hexane-1,2-diol
PubChem CID55287871
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2R,3R)-3-(methylamino)hexane-1,2-diol
SMILESCCC[C@@H](NC)[C@@H](O)CO
InChIInChI=1S/C7H17NO2/c1-3-4-6(8-2)7(10)5-9/h6-10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyRQFZNTMCPUZGBI-RQJHMYQMSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

butane-1,1-diol;butane-1,2,3,4-tetrol
CID 175408326
2-(methylamino)pentane-1,3-diol;hydrobromide
CID 174751065
1-(methylamino)pentane-1,2-diol
CID 57263326
butane;butane-1,2,3,4-tetrol
CID 155273073
2-(methylamino)propane-1,1,3-triol
CID 175078903
(2R,3R)-3-chlorohexane-1,2-diol
CID 13429724
3-fluorohexane-1,2-diol
CID 14685331
(4S)-N,2,3-trimethylhept-1-en-4-amine
CID 174109197
(2S,3R)-2-(methylamino)butane-1,3-diol
CID 59886106
2-methyl-4-(methylamino)nonan-5-ol
CID 58233630
2-ethoxy-N-methylhexan-3-amine
CID 64534795
N,5,8-trimethylnonan-4-amine
CID 83047737

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(methylamino)hexane-1,2-diol?
The IUPAC name of (2R,3R)-3-(methylamino)hexane-1,2-diol (CID 55287871) is (2R,3R)-3-(methylamino)hexane-1,2-diol.
What is the SMILES notation for (2R,3R)-3-(methylamino)hexane-1,2-diol?
The canonical SMILES for (2R,3R)-3-(methylamino)hexane-1,2-diol is CCC[C@@H](NC)[C@@H](O)CO.
What is the InChIKey of (2R,3R)-3-(methylamino)hexane-1,2-diol?
The InChIKey is RQFZNTMCPUZGBI-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-4-6(8-2)7(10)5-9/h6-10H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (2R,3R)-3-(methylamino)hexane-1,2-diol?
(2R,3R)-3-(methylamino)hexane-1,2-diol has a molecular weight of 147.22 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(methylamino)hexane-1,2-diol is sourced from PubChem (CID 55287871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).