8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine

C24H34N6O2 — CID 56642532

IUPAC8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
SMILESCCN(C)c1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2
InChIInChI=1S/C24H34N6O2/c1-5-29(4)22-16-6-7-24(2,3)14-17(16)18-19-20(32-23(18)28-22)21(27-15-26-19)25-8-9-30-10-12-31-13-11-30/h15H,5-14H2,1-4H3,(H,25,26,27)
InChIKeySDXDROLDNVOSMH-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.49
Rot. Bonds6

About 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine

8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine (PubChem CID 56642532) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine.

Molecular Properties

Compound Name8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
PubChem CID56642532
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
SMILESCCN(C)c1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2
InChIInChI=1S/C24H34N6O2/c1-5-29(4)22-16-6-7-24(2,3)14-17(16)18-19-20(32-23(18)28-22)21(27-15-26-19)25-8-9-30-10-12-31-13-11-30/h15H,5-14H2,1-4H3,(H,25,26,27)
InChIKeySDXDROLDNVOSMH-UHFFFAOYSA-N
XLogP3.49
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine?
The IUPAC name of 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine (CID 56642532) is 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine.
What is the SMILES notation for 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine?
The canonical SMILES for 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine is CCN(C)c1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2.
What is the InChIKey of 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine?
The InChIKey is SDXDROLDNVOSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-5-29(4)22-16-6-7-24(2,3)14-17(16)18-19-20(32-23(18)28-22)21(27-15-26-19)25-8-9-30-10-12-31-13-11-30/h15H,5-14H2,1-4H3,(H,25,26,27).
What are the key properties of 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine?
8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine has a molecular weight of 438.58 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine is sourced from PubChem (CID 56642532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).