8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene

C22H30N4 — CID 123896832

IUPAC8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene
SMILESCCC1CCC2N(c3ccccc3C1CC)c1nccnc1N2C(C)C
InChIInChI=1S/C22H30N4/c1-5-16-11-12-20-25(15(3)4)21-22(24-14-13-23-21)26(20)19-10-8-7-9-18(19)17(16)6-2/h7-10,13-17,20H,5-6,11-12H2,1-4H3
InChIKeySDIQIVCLXVHINO-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.48
Rot. Bonds3

About 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene

8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene (PubChem CID 123896832) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene.

Molecular Properties

Compound Name8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene
PubChem CID123896832
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene
SMILESCCC1CCC2N(c3ccccc3C1CC)c1nccnc1N2C(C)C
InChIInChI=1S/C22H30N4/c1-5-16-11-12-20-25(15(3)4)21-22(24-14-13-23-21)26(20)19-10-8-7-9-18(19)17(16)6-2/h7-10,13-17,20H,5-6,11-12H2,1-4H3
InChIKeySDIQIVCLXVHINO-UHFFFAOYSA-N
XLogP5.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene with MolForge

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Related Compounds

8,9-diethyl-13-pyridin-4-yl-1,13,15,17-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene
CID 123592363
8,8,9-triethyl-9-methyl-11-propan-2-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 123482933
14-(8,10-diethyl-10,12-dimethyl-1,12,14,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-yl)-18-methyl-3-oxa-18,21-diazapentacyclo[11.8.0.02,10.04,9.017,21]henicosa-1(13),2(10),4,6,8,11,19-heptaene
CID 123823582
(2R)-2-methyl-3-(2-methylphenyl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
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(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 89333129
8,9-diethyl-8,9,11-trimethyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 123524781
5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
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3-ethyl-2-methyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
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8-ethenyl-8,9,9-triethyl-11-propan-2-yl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 123759980
4-phenyl-8-propan-2-yl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
CID 122644833

Frequently Asked Questions

What is the IUPAC name of 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene?
The IUPAC name of 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene (CID 123896832) is 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene.
What is the SMILES notation for 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene?
The canonical SMILES for 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene is CCC1CCC2N(c3ccccc3C1CC)c1nccnc1N2C(C)C.
What is the InChIKey of 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene?
The InChIKey is SDIQIVCLXVHINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-5-16-11-12-20-25(15(3)4)21-22(24-14-13-23-21)26(20)19-10-8-7-9-18(19)17(16)6-2/h7-10,13-17,20H,5-6,11-12H2,1-4H3.
What are the key properties of 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene?
8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene has a molecular weight of 350.51 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diethyl-13-propan-2-yl-1,13,15,18-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene is sourced from PubChem (CID 123896832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).