(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol

C11H25NO2 — CID 59906425

IUPAC(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCC(C)(C)N[C@@H](CO)COC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-10(2,3)12-9(7-13)8-14-11(4,5)6/h9,12-13H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyZRKWDKSBSSQJHY-VIFPVBQESA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds4

About (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol

(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol (PubChem CID 59906425) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
PubChem CID59906425
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCC(C)(C)N[C@@H](CO)COC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-10(2,3)12-9(7-13)8-14-11(4,5)6/h9,12-13H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyZRKWDKSBSSQJHY-VIFPVBQESA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Methoxyethyl)amino]-2-methylpropan-1-ol
CID 43416484
2-(Methylamino)-3-(propan-2-yloxy)propan-1-ol hydrochloride
CID 86775596
2-(2-t-Butylaminopropoxy)ethanol
CID 13930779
2-Dimethyl-2-hydroxypropyl) (1-dimethyl-2-hydroxypropyl)amine
CID 60884434
[(3R)-5,5-dimethylmorpholin-3-yl]methanol
CID 166445309
2-(Methylamino)-3-(propan-2-yloxy)propan-1-ol
CID 64803823
2-(Ethylamino)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 64804705
2-Methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 64804911
2-(Ethylamino)-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
CID 66275337
2-Methyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
CID 66277713
2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol
CID 79811642
3-(2,2-Difluoroethoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 82008853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The IUPAC name of (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol (CID 59906425) is (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol.
What is the SMILES notation for (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The canonical SMILES for (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol is CC(C)(C)N[C@@H](CO)COC(C)(C)C.
What is the InChIKey of (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The InChIKey is ZRKWDKSBSSQJHY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(2,3)12-9(7-13)8-14-11(4,5)6/h9,12-13H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol?
(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 59906425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).