1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol

C11H23NO3 — CID 115476122

IUPAC1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COC1CCOC1
InChIInChI=1S/C11H23NO3/c1-11(2,3)12-6-9(13)7-15-10-4-5-14-8-10/h9-10,12-13H,4-8H2,1-3H3
InChIKeyBVGFAMAZTIRIBV-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.54
Rot. Bonds5

About 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol

1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol (PubChem CID 115476122) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol
PubChem CID115476122
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COC1CCOC1
InChIInChI=1S/C11H23NO3/c1-11(2,3)12-6-9(13)7-15-10-4-5-14-8-10/h9-10,12-13H,4-8H2,1-3H3
InChIKeyBVGFAMAZTIRIBV-UHFFFAOYSA-N
XLogP0.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-Butylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 44274623
1-(Tert-butylamino)-3-isobutoxy-2-propanol
CID 12606684
1-(Tert-butylamino)-3-propan-2-yloxypropan-2-ol
CID 12606686
1-(Tert-butylamino)-3-(1-cyclopropylethoxy)propan-2-ol
CID 44274622
1-(Tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol
CID 44459891
2-Propanol, 1-butoxy-3-((1-methylethyl)amino)-
CID 3067037
1-Butoxy-3-(tert-butylamino)propan-2-ol
CID 3067038
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(1-methylpropoxy)-
CID 3067040
2-Propanol, 1-(2-methylbutoxy)-3-((1-methylethyl)amino)-
CID 3067041
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((1-methylpentyl)oxy)-, hydrochloride
CID 3067051
1-(Tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
1-(Cyclopentyloxy)-3-(isobutylamino)-2-propanol
CID 13615222

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol (CID 115476122) is 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol is CC(C)(C)NCC(O)COC1CCOC1.
What is the InChIKey of 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol?
The InChIKey is BVGFAMAZTIRIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)12-6-9(13)7-15-10-4-5-14-8-10/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol?
1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol is sourced from PubChem (CID 115476122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).