2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol

C12H25NO2 — CID 79663078

IUPAC2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol
SMILESCC(C)N1CCOC(C(O)C(C)(C)C)C1
InChIInChI=1S/C12H25NO2/c1-9(2)13-6-7-15-10(8-13)11(14)12(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyCRBCGBKSLYKCQZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds2

About 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol

2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol (PubChem CID 79663078) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol
PubChem CID79663078
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol
SMILESCC(C)N1CCOC(C(O)C(C)(C)C)C1
InChIInChI=1S/C12H25NO2/c1-9(2)13-6-7-15-10(8-13)11(14)12(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyCRBCGBKSLYKCQZ-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol (CID 79663078) is 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol is CC(C)N1CCOC(C(O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol?
The InChIKey is CRBCGBKSLYKCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)13-6-7-15-10(8-13)11(14)12(3,4)5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol?
2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-ol is sourced from PubChem (CID 79663078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).