(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C16H28N2O3 — CID 114945905

IUPAC(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2(N)C3CCOC3C2(C)C)CC(C)(C)O1
InChIInChI=1S/C16H28N2O3/c1-10-8-18(9-14(2,3)21-10)13(19)16(17)11-6-7-20-12(11)15(16,4)5/h10-12H,6-9,17H2,1-5H3
InChIKeyKTAYYDYTKBNTFJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.15
Rot. Bonds1

About (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 114945905) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID114945905
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2(N)C3CCOC3C2(C)C)CC(C)(C)O1
InChIInChI=1S/C16H28N2O3/c1-10-8-18(9-14(2,3)21-10)13(19)16(17)11-6-7-20-12(11)15(16,4)5/h10-12H,6-9,17H2,1-5H3
InChIKeyKTAYYDYTKBNTFJ-UHFFFAOYSA-N
XLogP1.15
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 114945905) is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2(N)C3CCOC3C2(C)C)CC(C)(C)O1.
What is the InChIKey of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is KTAYYDYTKBNTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10-8-18(9-14(2,3)21-10)13(19)16(17)11-6-7-20-12(11)15(16,4)5/h10-12H,6-9,17H2,1-5H3.
What are the key properties of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 296.41 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 114945905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).