7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C17H32N2O2 — CID 102744306

IUPAC7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)CN(CC2(N)C3CCOC3C2(C)C)CC(C)(C)O1
InChIInChI=1S/C17H32N2O2/c1-14(2)9-19(10-15(3,4)21-14)11-17(18)12-7-8-20-13(12)16(17,5)6/h12-13H,7-11,18H2,1-6H3
InChIKeyLXAATICLKGYQSC-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.02
Rot. Bonds2

About 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 102744306) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID102744306
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)CN(CC2(N)C3CCOC3C2(C)C)CC(C)(C)O1
InChIInChI=1S/C17H32N2O2/c1-14(2)9-19(10-15(3,4)21-14)11-17(18)12-7-8-20-13(12)16(17,5)6/h12-13H,7-11,18H2,1-6H3
InChIKeyLXAATICLKGYQSC-UHFFFAOYSA-N
XLogP2.02
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 102744306) is 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)CN(CC2(N)C3CCOC3C2(C)C)CC(C)(C)O1.
What is the InChIKey of 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is LXAATICLKGYQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)9-19(10-15(3,4)21-14)11-17(18)12-7-8-20-13(12)16(17,5)6/h12-13H,7-11,18H2,1-6H3.
What are the key properties of 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 296.45 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 102744306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).