3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride

C11H29BClNO5 — CID 175020502

IUPAC3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride
SMILESCC(C)CC(N)OC(C)(C)C(C)(C)O.Cl.OB(O)O
InChIInChI=1S/C11H25NO2.BH3O3.ClH/c1-8(2)7-9(12)14-11(5,6)10(3,4)13;2-1(3)4;/h8-9,13H,7,12H2,1-6H3;2-4H;1H
InChIKeyOPJBELUEFYUZDE-UHFFFAOYSA-N
MW301.62 g/mol
LogP0.25
Rot. Bonds5

About 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride

3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride (PubChem CID 175020502) has the molecular formula C11H29BClNO5 and a molecular weight of 301.62 g/mol. Its IUPAC name is 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride.

Molecular Properties

Compound Name3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride
PubChem CID175020502
Molecular FormulaC11H29BClNO5
Molecular Weight301.62 g/mol
Exact Mass301.18
IUPAC Name3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride
SMILESCC(C)CC(N)OC(C)(C)C(C)(C)O.Cl.OB(O)O
InChIInChI=1S/C11H25NO2.BH3O3.ClH/c1-8(2)7-9(12)14-11(5,6)10(3,4)13;2-1(3)4;/h8-9,13H,7,12H2,1-6H3;2-4H;1H
InChIKeyOPJBELUEFYUZDE-UHFFFAOYSA-N
XLogP0.25
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 50.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbutane-2,3-diol;2-methylpropoxyboronic acid
CID 175349270
(4S)-4-amino-3-tert-butyl-2,2,6-trimethylheptan-3-ol
CID 54045200
boric acid;bis(2,3-dimethylbutane-2,3-diol)
CID 87113671
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 87926743
(3R)-2,2,5-trimethylhexan-3-amine
CID 93312693
ethyl 2-hydroxy-2,5-dimethyl-3-(2-methylpropyl)hexanoate
CID 114868881
2,3,5-trimethylhexan-2-yl 2-methylpropanoate
CID 130218539
2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid
CID 90956305
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162521
(2S)-1-methoxy-4-methylpentane-1,2-diamine
CID 166706946
2-amino-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 87381606

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride?
The IUPAC name of 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride (CID 175020502) is 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride.
What is the SMILES notation for 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride?
The canonical SMILES for 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride is CC(C)CC(N)OC(C)(C)C(C)(C)O.Cl.OB(O)O.
What is the InChIKey of 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride?
The InChIKey is OPJBELUEFYUZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2.BH3O3.ClH/c1-8(2)7-9(12)14-11(5,6)10(3,4)13;2-1(3)4;/h8-9,13H,7,12H2,1-6H3;2-4H;1H.
What are the key properties of 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride?
3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride has a molecular weight of 301.62 g/mol, XLogP of 0.25, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3-methylbutoxy)-2,3-dimethylbutan-2-ol;boric acid;hydrochloride is sourced from PubChem (CID 175020502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).