3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol

C11H25NO2 — CID 114986046

IUPAC3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN[C@H](CO)C(C)C
InChIInChI=1S/C11H25NO2/c1-5-11(14,6-2)8-12-10(7-13)9(3)4/h9-10,12-14H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyRKVJXFUEHCUANG-SNVBAGLBSA-N
MW203.33 g/mol
LogP1.14
Rot. Bonds7

About 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol

3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol (PubChem CID 114986046) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol
PubChem CID114986046
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN[C@H](CO)C(C)C
InChIInChI=1S/C11H25NO2/c1-5-11(14,6-2)8-12-10(7-13)9(3)4/h9-10,12-14H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyRKVJXFUEHCUANG-SNVBAGLBSA-N
XLogP1.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol with MolForge

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Related Compounds

(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbutan-1-ol
CID 79249473
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol
CID 65107716
3-[(pentan-3-ylamino)methyl]pentan-3-ol
CID 65105308
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol
CID 79355054
3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol
CID 114493012
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
2-(but-2-ynylamino)-3-methylbutan-1-ol
CID 79249561

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol (CID 114986046) is 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol is CCC(O)(CC)CN[C@H](CO)C(C)C.
What is the InChIKey of 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol?
The InChIKey is RKVJXFUEHCUANG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-11(14,6-2)8-12-10(7-13)9(3)4/h9-10,12-14H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol?
3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol has a molecular weight of 203.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 114986046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).