10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene

C16H22N2 — CID 57293262

IUPAC10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCC1C2CC3CC4=C(C=CCNC1(C)C4)CC3=N2
InChIInChI=1S/C16H22N2/c1-10-14-8-12-6-13-9-16(10,2)17-5-3-4-11(13)7-15(12)18-14/h3-4,10,12,14,17H,5-9H2,1-2H3
InChIKeyJYLDCNFYBYZIRJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.86
Rot. Bonds

About 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene

10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (PubChem CID 57293262) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.

Molecular Properties

Compound Name10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
PubChem CID57293262
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCC1C2CC3CC4=C(C=CCNC1(C)C4)CC3=N2
InChIInChI=1S/C16H22N2/c1-10-14-8-12-6-13-9-16(10,2)17-5-3-4-11(13)7-15(12)18-14/h3-4,10,12,14,17H,5-9H2,1-2H3
InChIKeyJYLDCNFYBYZIRJ-UHFFFAOYSA-N
XLogP2.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The IUPAC name of 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (CID 57293262) is 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.
What is the SMILES notation for 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The canonical SMILES for 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is CC1C2CC3CC4=C(C=CCNC1(C)C4)CC3=N2.
What is the InChIKey of 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The InChIKey is JYLDCNFYBYZIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-14-8-12-6-13-9-16(10,2)17-5-3-4-11(13)7-15(12)18-14/h3-4,10,12,14,17H,5-9H2,1-2H3.
What are the key properties of 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene has a molecular weight of 242.37 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is sourced from PubChem (CID 57293262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).