(6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate

C11H22N2O3 — CID 102635556

IUPAC(6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate
SMILESCC1CNCC(COC(=O)NC(C)(C)C)O1
InChIInChI=1S/C11H22N2O3/c1-8-5-12-6-9(16-8)7-15-10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyJDRJXJHLKXIYQW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.89
Rot. Bonds2

About (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate

(6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate (PubChem CID 102635556) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate
PubChem CID102635556
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate
SMILESCC1CNCC(COC(=O)NC(C)(C)C)O1
InChIInChI=1S/C11H22N2O3/c1-8-5-12-6-9(16-8)7-15-10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyJDRJXJHLKXIYQW-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate?
The IUPAC name of (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate (CID 102635556) is (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate?
The canonical SMILES for (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate is CC1CNCC(COC(=O)NC(C)(C)C)O1.
What is the InChIKey of (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate?
The InChIKey is JDRJXJHLKXIYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-5-12-6-9(16-8)7-15-10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate?
(6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate has a molecular weight of 230.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 102635556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).