tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium

C11H23N2O2+ — CID 59078589

IUPACtert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium
SMILESCNC(=O)C1([NH2+]C(C)(C)C)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)13-11(9(14)12-4)5-7-15-8-6-11/h13H,5-8H2,1-4H3,(H,12,14)/p+1
InChIKeyHEXOPPBICHVHRJ-UHFFFAOYSA-O
MW215.32 g/mol
LogP-0.36
Rot. Bonds2

About tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium

tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium (PubChem CID 59078589) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium.

Molecular Properties

Compound Nametert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium
PubChem CID59078589
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Nametert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium
SMILESCNC(=O)C1([NH2+]C(C)(C)C)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)13-11(9(14)12-4)5-7-15-8-6-11/h13H,5-8H2,1-4H3,(H,12,14)/p+1
InChIKeyHEXOPPBICHVHRJ-UHFFFAOYSA-O
XLogP-0.36
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium?
The IUPAC name of tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium (CID 59078589) is tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium.
What is the SMILES notation for tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium?
The canonical SMILES for tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium is CNC(=O)C1([NH2+]C(C)(C)C)CCOCC1.
What is the InChIKey of tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium?
The InChIKey is HEXOPPBICHVHRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)13-11(9(14)12-4)5-7-15-8-6-11/h13H,5-8H2,1-4H3,(H,12,14)/p+1.
What are the key properties of tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium?
tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium has a molecular weight of 215.32 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium is sourced from PubChem (CID 59078589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).