(1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C21H30N2O2 — CID 124775706

IUPAC(1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESc1ccc(N2CCOCC2)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1
InChIInChI=1S/C21H30N2O2/c1-2-6-18(23-10-13-24-14-11-23)16(5-1)15-22-19-17-7-12-25-20(17)21(19)8-3-4-9-21/h1-2,5-6,17,19-20,22H,3-4,7-15H2/t17-,19+,20+/m0/s1
InChIKeyZSYAWSRWXIEWQU-DFQSSKMNSA-N
MW342.48 g/mol
LogP2.96
Rot. Bonds4

About (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

(1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 124775706) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound Name(1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID124775706
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESc1ccc(N2CCOCC2)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1
InChIInChI=1S/C21H30N2O2/c1-2-6-18(23-10-13-24-14-11-23)16(5-1)15-22-19-17-7-12-25-20(17)21(19)8-3-4-9-21/h1-2,5-6,17,19-20,22H,3-4,7-15H2/t17-,19+,20+/m0/s1
InChIKeyZSYAWSRWXIEWQU-DFQSSKMNSA-N
XLogP2.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 124775706) is (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is c1ccc(N2CCOCC2)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1.
What is the InChIKey of (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is ZSYAWSRWXIEWQU-DFQSSKMNSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-6-18(23-10-13-24-14-11-23)16(5-1)15-22-19-17-7-12-25-20(17)21(19)8-3-4-9-21/h1-2,5-6,17,19-20,22H,3-4,7-15H2/t17-,19+,20+/m0/s1.
What are the key properties of (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
(1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 342.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 124775706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).