(2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine

C19H25N5O — CID 95808188

IUPAC(2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine
SMILESCCc1cc(N2C[C@@H](C)O[C@@H](C)C2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C19H25N5O/c1-6-15-8-16(23-9-13(4)25-14(5)10-23)24-19(21-15)17-11(2)7-12(3)20-18(17)22-24/h7-8,13-14H,6,9-10H2,1-5H3/t13-,14+
InChIKeyUBPQHVXRTCLRNO-OKILXGFUSA-N
MW339.44 g/mol
LogP3.07
Rot. Bonds2

About (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine (PubChem CID 95808188) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine
PubChem CID95808188
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine
SMILESCCc1cc(N2C[C@@H](C)O[C@@H](C)C2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C19H25N5O/c1-6-15-8-16(23-9-13(4)25-14(5)10-23)24-19(21-15)17-11(2)7-12(3)20-18(17)22-24/h7-8,13-14H,6,9-10H2,1-5H3/t13-,14+
InChIKeyUBPQHVXRTCLRNO-OKILXGFUSA-N
XLogP3.07
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine (CID 95808188) is (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine is CCc1cc(N2C[C@@H](C)O[C@@H](C)C2)n2nc3nc(C)cc(C)c3c2n1.
What is the InChIKey of (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine?
The InChIKey is UBPQHVXRTCLRNO-OKILXGFUSA-N. The full InChI is InChI=1S/C19H25N5O/c1-6-15-8-16(23-9-13(4)25-14(5)10-23)24-19(21-15)17-11(2)7-12(3)20-18(17)22-24/h7-8,13-14H,6,9-10H2,1-5H3/t13-,14+.
What are the key properties of (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine has a molecular weight of 339.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 95808188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).