1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol

C11H25NO2 — CID 114493226

IUPAC1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
SMILESCCC(C)(O)CNCC(C)(O)C(C)C
InChIInChI=1S/C11H25NO2/c1-6-10(4,13)7-12-8-11(5,14)9(2)3/h9,12-14H,6-8H2,1-5H3
InChIKeyJGJMGPGALOYJIW-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.14
Rot. Bonds6

About 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol

1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 114493226) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID114493226
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
SMILESCCC(C)(O)CNCC(C)(O)C(C)C
InChIInChI=1S/C11H25NO2/c1-6-10(4,13)7-12-8-11(5,14)9(2)3/h9,12-14H,6-8H2,1-5H3
InChIKeyJGJMGPGALOYJIW-UHFFFAOYSA-N
XLogP1.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 65111531
2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494765
2-methyl-1-(7-methyloctylamino)butan-2-ol
CID 104985805
1-(2,2-dimethoxyethylamino)-2-methylbutan-2-ol
CID 65107941
1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol
CID 114493615
2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 115899639
1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol
CID 81093278
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806
1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol
CID 114447493
2-methyl-1-(3-methylsulfinylbutylamino)butan-2-ol
CID 114493706
1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
CID 81418868
2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol
CID 114493611

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol (CID 114493226) is 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol is CCC(C)(O)CNCC(C)(O)C(C)C.
What is the InChIKey of 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is JGJMGPGALOYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-10(4,13)7-12-8-11(5,14)9(2)3/h9,12-14H,6-8H2,1-5H3.
What are the key properties of 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol?
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114493226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).