2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol

C9H21NO2 — CID 64548728

IUPAC2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC(C)(C)O
InChIInChI=1S/C9H21NO2/c1-5-9(4,7-11)10-6-8(2,3)12/h10-12H,5-7H2,1-4H3
InChIKeyDWYAYRIALOREMK-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.51
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol

2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol (PubChem CID 64548728) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol
PubChem CID64548728
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC(C)(C)O
InChIInChI=1S/C9H21NO2/c1-5-9(4,7-11)10-6-8(2,3)12/h10-12H,5-7H2,1-4H3
InChIKeyDWYAYRIALOREMK-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol
CID 114493468
2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid
CID 165465852
2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol
CID 106328180
3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 79624482
2-(2-hydroxybutylamino)-2-methylbutan-1-ol
CID 64548924
2-(but-2-ynylamino)-2-methylbutan-1-ol
CID 64549963
2-(cyclopropylmethylamino)-2-methylbutan-1-ol
CID 61054003
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol
CID 66408555
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
3-[(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
CID 103993368
4-[(1-hydroxy-2-methylbutan-2-yl)amino]butanenitrile
CID 64549136

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol (CID 64548728) is 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol is CCC(C)(CO)NCC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol?
The InChIKey is DWYAYRIALOREMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-9(4,7-11)10-6-8(2,3)12/h10-12H,5-7H2,1-4H3.
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol?
2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 64548728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).