(2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine

C15H22N4O — CID 121359149

IUPAC(2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine
SMILESC[C@@H]1CN(c2ccc3c(n2)NC2CCN3C2)C[C@@H](C)O1
InChIInChI=1S/C15H22N4O/c1-10-7-19(8-11(2)20-10)14-4-3-13-15(17-14)16-12-5-6-18(13)9-12/h3-4,10-12H,5-9H2,1-2H3,(H,16,17)/t10-,11-,12?/m1/s1
InChIKeyBMHSXKSGDALONB-XFKKCKKNSA-N
MW274.37 g/mol
LogP1.70
Rot. Bonds1

About (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine

(2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine (PubChem CID 121359149) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine
PubChem CID121359149
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine
SMILESC[C@@H]1CN(c2ccc3c(n2)NC2CCN3C2)C[C@@H](C)O1
InChIInChI=1S/C15H22N4O/c1-10-7-19(8-11(2)20-10)14-4-3-13-15(17-14)16-12-5-6-18(13)9-12/h3-4,10-12H,5-9H2,1-2H3,(H,16,17)/t10-,11-,12?/m1/s1
InChIKeyBMHSXKSGDALONB-XFKKCKKNSA-N
XLogP1.70
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine (CID 121359149) is (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine is C[C@@H]1CN(c2ccc3c(n2)NC2CCN3C2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine?
The InChIKey is BMHSXKSGDALONB-XFKKCKKNSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-7-19(8-11(2)20-10)14-4-3-13-15(17-14)16-12-5-6-18(13)9-12/h3-4,10-12H,5-9H2,1-2H3,(H,16,17)/t10-,11-,12?/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine?
(2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine has a molecular weight of 274.37 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine is sourced from PubChem (CID 121359149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).