10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene

C21H30N2 — CID 67897279

IUPAC10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene
SMILESCC(C)=CCC1C2CC3=C4C=C2NC1C(C)C(C)(/C=N\CC4)C3
InChIInChI=1S/C21H30N2/c1-13(2)5-6-17-18-9-16-11-21(4)12-22-8-7-15(16)10-19(18)23-20(17)14(21)3/h5,10,12,14,17-18,20,23H,6-9,11H2,1-4H3/b22-12-
InChIKeyIYCDIMYYBBNRLE-UUYOSTAYSA-N
MW310.49 g/mol
LogP4.65
Rot. Bonds2

About 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene

10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene (PubChem CID 67897279) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene.

Molecular Properties

Compound Name10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene
PubChem CID67897279
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene
SMILESCC(C)=CCC1C2CC3=C4C=C2NC1C(C)C(C)(/C=N\CC4)C3
InChIInChI=1S/C21H30N2/c1-13(2)5-6-17-18-9-16-11-21(4)12-22-8-7-15(16)10-19(18)23-20(17)14(21)3/h5,10,12,14,17-18,20,23H,6-9,11H2,1-4H3/b22-12-
InChIKeyIYCDIMYYBBNRLE-UUYOSTAYSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene?
The IUPAC name of 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene (CID 67897279) is 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene.
What is the SMILES notation for 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene?
The canonical SMILES for 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene is CC(C)=CCC1C2CC3=C4C=C2NC1C(C)C(C)(/C=N\CC4)C3.
What is the InChIKey of 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene?
The InChIKey is IYCDIMYYBBNRLE-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H30N2/c1-13(2)5-6-17-18-9-16-11-21(4)12-22-8-7-15(16)10-19(18)23-20(17)14(21)3/h5,10,12,14,17-18,20,23H,6-9,11H2,1-4H3/b22-12-.
What are the key properties of 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene?
10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene has a molecular weight of 310.49 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene is sourced from PubChem (CID 67897279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).