4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene

C17H22N2 — CID 20505336

IUPAC4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
SMILESCCC1=CC2=C(CC3CNC4=CCCC2=C43)C(C)N1
InChIInChI=1S/C17H22N2/c1-3-12-8-15-13-5-4-6-16-17(13)11(9-18-16)7-14(15)10(2)19-12/h6,8,10-11,18-19H,3-5,7,9H2,1-2H3
InChIKeyCTCKBUBKVPLTPP-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.17
Rot. Bonds1

About 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene

4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene (PubChem CID 20505336) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene.

Molecular Properties

Compound Name4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
PubChem CID20505336
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
SMILESCCC1=CC2=C(CC3CNC4=CCCC2=C43)C(C)N1
InChIInChI=1S/C17H22N2/c1-3-12-8-15-13-5-4-6-16-17(13)11(9-18-16)7-14(15)10(2)19-12/h6,8,10-11,18-19H,3-5,7,9H2,1-2H3
InChIKeyCTCKBUBKVPLTPP-UHFFFAOYSA-N
XLogP3.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
The IUPAC name of 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene (CID 20505336) is 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene.
What is the SMILES notation for 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
The canonical SMILES for 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene is CCC1=CC2=C(CC3CNC4=CCCC2=C43)C(C)N1.
What is the InChIKey of 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
The InChIKey is CTCKBUBKVPLTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-12-8-15-13-5-4-6-16-17(13)11(9-18-16)7-14(15)10(2)19-12/h6,8,10-11,18-19H,3-5,7,9H2,1-2H3.
What are the key properties of 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene?
4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene has a molecular weight of 254.38 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene is sourced from PubChem (CID 20505336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).