(1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine

C17H32N2O2 — CID 98891113

IUPAC(1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC[C@H](CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCOC[C@@H]1C
InChIInChI=1S/C17H32N2O2/c1-12(19-7-9-20-11-13(19)2)10-18-15-14-6-5-8-21-16(14)17(15,3)4/h12-16,18H,5-11H2,1-4H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyOCUWOJHJGIJUTM-CWVYHPPDSA-N
MW296.46 g/mol
LogP1.89
Rot. Bonds4

About (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine

(1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 98891113) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name(1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID98891113
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name(1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC[C@H](CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCOC[C@@H]1C
InChIInChI=1S/C17H32N2O2/c1-12(19-7-9-20-11-13(19)2)10-18-15-14-6-5-8-21-16(14)17(15,3)4/h12-16,18H,5-11H2,1-4H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyOCUWOJHJGIJUTM-CWVYHPPDSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 98891113) is (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine is C[C@H](CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCOC[C@@H]1C.
What is the InChIKey of (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is OCUWOJHJGIJUTM-CWVYHPPDSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(19-7-9-20-11-13(19)2)10-18-15-14-6-5-8-21-16(14)17(15,3)4/h12-16,18H,5-11H2,1-4H3/t12-,13+,14+,15-,16+/m1/s1.
What are the key properties of (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine?
(1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 296.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 98891113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).