4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 15942639

IUPAC4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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
SMILESCC(C)Nc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2
InChIInChI=1S/C24H34N6O2/c1-15(2)28-21-16-5-6-24(3,4)13-17(16)18-19-20(32-23(18)29-21)22(27-14-26-19)25-7-8-30-9-11-31-12-10-30/h14-15H,5-13H2,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyYDDOKULECCVFMB-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.85
Rot. Bonds6

About 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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

4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 15942639) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 Name4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 CID15942639
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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
SMILESCC(C)Nc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2
InChIInChI=1S/C24H34N6O2/c1-15(2)28-21-16-5-6-24(3,4)13-17(16)18-19-20(32-23(18)29-21)22(27-14-26-19)25-7-8-30-9-11-31-12-10-30/h14-15H,5-13H2,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyYDDOKULECCVFMB-UHFFFAOYSA-N
XLogP3.85
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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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Launch Full Analysis

Related Compounds

1-[3-[[4,4-Dimethyl-8-(propan-2-ylamino)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]amino]propyl]pyrrolidin-2-one
CID 16067906
2-[(4,4-Dimethyl-8-morpholin-4-yl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol
CID 56642529
4,4-dimethyl-8-N-propan-2-yl-13-N-(pyridin-3-ylmethyl)-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 56642660
8-N-(3,5-dichloro-4-pyridinyl)-4,4-dimethyl-13-N-(pyridin-3-ylmethyl)-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 56589630
2-[(4-Isopropyl-2,3-dihydro-1H-6-oxa-5,8,10-triaza-cyclopenta[c]fluoren-7-yl)-methyl-amino]-ethanol
CID 1956416
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 16067799
4,4-dimethyl-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 16067902
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 16067903
2-[(4,4-Dimethyl-8-morpholin-4-yl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol
CID 16067905
4,4-dimethyl-8-morpholin-4-yl-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-hexaen-13-amine
CID 56642417
2-[[4,4-Dimethyl-13-(pyridin-3-ylmethylamino)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-8-yl]amino]ethanol
CID 56642530
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

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 15942639) is 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 CC(C)Nc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2.
What is the InChIKey of 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 YDDOKULECCVFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-15(2)28-21-16-5-6-24(3,4)13-17(16)18-19-20(32-23(18)29-21)22(27-14-26-19)25-7-8-30-9-11-31-12-10-30/h14-15H,5-13H2,1-4H3,(H,28,29)(H,25,26,27).
What are the key properties of 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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?
4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-8-N-propan-2-yl-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 15942639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).