2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene

C21H30N2 — CID 90735090

IUPAC2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene
SMILESCCCc1ccc2c(c1)N1C=CN(C)C1C1(CC)C(C)C21CC
InChIInChI=1S/C21H30N2/c1-6-9-16-10-11-17-18(14-16)23-13-12-22(5)19(23)21(8-3)15(4)20(17,21)7-2/h10-15,19H,6-9H2,1-5H3
InChIKeyWKNBUIUDIAUDRI-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.90
Rot. Bonds4

About 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene

2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene (PubChem CID 90735090) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene.

Molecular Properties

Compound Name2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene
PubChem CID90735090
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene
SMILESCCCc1ccc2c(c1)N1C=CN(C)C1C1(CC)C(C)C21CC
InChIInChI=1S/C21H30N2/c1-6-9-16-10-11-17-18(14-16)23-13-12-22(5)19(23)21(8-3)15(4)20(17,21)7-2/h10-15,19H,6-9H2,1-5H3
InChIKeyWKNBUIUDIAUDRI-UHFFFAOYSA-N
XLogP4.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene?
The IUPAC name of 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene (CID 90735090) is 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene.
What is the SMILES notation for 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene?
The canonical SMILES for 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene is CCCc1ccc2c(c1)N1C=CN(C)C1C1(CC)C(C)C21CC.
What is the InChIKey of 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene?
The InChIKey is WKNBUIUDIAUDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-6-9-16-10-11-17-18(14-16)23-13-12-22(5)19(23)21(8-3)15(4)20(17,21)7-2/h10-15,19H,6-9H2,1-5H3.
What are the key properties of 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene?
2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene has a molecular weight of 310.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene is sourced from PubChem (CID 90735090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).