4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene

C16H22N2 — CID 20505351

IUPAC4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
SMILESCC1CC2=C(CN1C)C1=C3C(=CCC1)NCC3C2
InChIInChI=1S/C16H22N2/c1-10-6-11-7-12-8-17-15-5-3-4-13(16(12)15)14(11)9-18(10)2/h5,10,12,17H,3-4,6-9H2,1-2H3
InChIKeyBBAMYQJEAPKLLT-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.60
Rot. Bonds

About 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene

4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene (PubChem CID 20505351) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene.

Molecular Properties

Compound Name4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
PubChem CID20505351
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
SMILESCC1CC2=C(CN1C)C1=C3C(=CCC1)NCC3C2
InChIInChI=1S/C16H22N2/c1-10-6-11-7-12-8-17-15-5-3-4-13(16(12)15)14(11)9-18(10)2/h5,10,12,17H,3-4,6-9H2,1-2H3
InChIKeyBBAMYQJEAPKLLT-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyclohexa-1,5-dien-1-ylcyclohex-3-en-1-yl)-9-[4-[2-(1-fluoroethyl)-3,4,4a,8a-tetrahydronaphthalen-1-yl]cyclohexen-1-yl]-4,4a,4b,5,8,8a-hexahydrocarbazol-4-amine
CID 89531102
Decahydrobenzo[c]carbazole
CID 129737144
Decahydronaphtho[1,2-g]indole
CID 129753997
3-Methyl-11H-pyrido(4,3-a)carbazolium iodide
CID 149177
4-Methyl-7H-pyrido(2,3-c)carbazolium iodide
CID 153663
4-Ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
CID 20505336
4-Methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
CID 20505341
4-Methyl-6-(3-methylbut-1-en-2-yl)-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
CID 20505348
4-Methyl-5-(3-methylbut-1-en-2-yl)-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
CID 20505350
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
CID 20505352
5,11-Diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene
CID 20505355
14-Chloro-4-methyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene
CID 20505357

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene?
The IUPAC name of 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene (CID 20505351) is 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene.
What is the SMILES notation for 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene?
The canonical SMILES for 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene is CC1CC2=C(CN1C)C1=C3C(=CCC1)NCC3C2.
What is the InChIKey of 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene?
The InChIKey is BBAMYQJEAPKLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-6-11-7-12-8-17-15-5-3-4-13(16(12)15)14(11)9-18(10)2/h5,10,12,17H,3-4,6-9H2,1-2H3.
What are the key properties of 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene?
4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene has a molecular weight of 242.37 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12-triene is sourced from PubChem (CID 20505351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).