4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

C16H20N2 — CID 70523576

IUPAC4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
SMILESCCC1=CC2=C3CCC=C4NCC(=C43)CC2CN1
InChIInChI=1S/C16H20N2/c1-2-12-7-14-10(8-17-12)6-11-9-18-15-5-3-4-13(14)16(11)15/h5,7,10,17-18H,2-4,6,8-9H2,1H3
InChIKeyWPCUQKCZRKOHHD-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.78
Rot. Bonds1

About 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (PubChem CID 70523576) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene.

Molecular Properties

Compound Name4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
PubChem CID70523576
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
SMILESCCC1=CC2=C3CCC=C4NCC(=C43)CC2CN1
InChIInChI=1S/C16H20N2/c1-2-12-7-14-10(8-17-12)6-11-9-18-15-5-3-4-13(14)16(11)15/h5,7,10,17-18H,2-4,6,8-9H2,1H3
InChIKeyWPCUQKCZRKOHHD-UHFFFAOYSA-N
XLogP2.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The IUPAC name of 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (CID 70523576) is 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene.
What is the SMILES notation for 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The canonical SMILES for 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene is CCC1=CC2=C3CCC=C4NCC(=C43)CC2CN1.
What is the InChIKey of 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The InChIKey is WPCUQKCZRKOHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-12-7-14-10(8-17-12)6-11-9-18-15-5-3-4-13(14)16(11)15/h5,7,10,17-18H,2-4,6,8-9H2,1H3.
What are the key properties of 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene has a molecular weight of 240.35 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene is sourced from PubChem (CID 70523576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).