8-N-ethyl-4,4-dimethyl-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

C23H32N6O2 — CID 56642531

IUPAC8-N-ethyl-4,4-dimethyl-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
SMILESCCNc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2
InChIInChI=1S/C23H32N6O2/c1-4-24-20-15-5-6-23(2,3)13-16(15)17-18-19(31-22(17)28-20)21(27-14-26-18)25-7-8-29-9-11-30-12-10-29/h14H,4-13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyUGEXFJGYLFXPNT-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.46
Rot. Bonds6

About 8-N-ethyl-4,4-dimethyl-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-4,4-dimethyl-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 56642531) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 8-N-ethyl-4,4-dimethyl-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-4,4-dimethyl-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 CID56642531
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name8-N-ethyl-4,4-dimethyl-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
SMILESCCNc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2
InChIInChI=1S/C23H32N6O2/c1-4-24-20-15-5-6-23(2,3)13-16(15)17-18-19(31-22(17)28-20)21(27-14-26-18)25-7-8-29-9-11-30-12-10-29/h14H,4-13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyUGEXFJGYLFXPNT-UHFFFAOYSA-N
XLogP3.46
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-N-ethyl-4,4-dimethyl-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-4,4-dimethyl-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-4,4-dimethyl-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 56642531) is 8-N-ethyl-4,4-dimethyl-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-4,4-dimethyl-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-4,4-dimethyl-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 CCNc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2.
What is the InChIKey of 8-N-ethyl-4,4-dimethyl-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 UGEXFJGYLFXPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-4-24-20-15-5-6-23(2,3)13-16(15)17-18-19(31-22(17)28-20)21(27-14-26-18)25-7-8-29-9-11-30-12-10-29/h14H,4-13H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 8-N-ethyl-4,4-dimethyl-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-4,4-dimethyl-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 424.55 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-ethyl-4,4-dimethyl-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 56642531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).