4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

C17H22N2 — CID 70524426

IUPAC4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
SMILESCCC1=CC2=C3CCC=C4NCC(=C43)CC2C(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/h6,8,10,14,18-19H,3-5,7,9H2,1-2H3
InChIKeyNFGDDYPHCVYJGK-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-1,3,9(16),12-tetraene

4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (PubChem CID 70524426) 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-1,3,9(16),12-tetraene.

Molecular Properties

Compound Name4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
PubChem CID70524426
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-1,3,9(16),12-tetraene
SMILESCCC1=CC2=C3CCC=C4NCC(=C43)CC2C(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/h6,8,10,14,18-19H,3-5,7,9H2,1-2H3
InChIKeyNFGDDYPHCVYJGK-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

Analyze 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene 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

6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline
CID 54444424
10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole
CID 70809943
5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
CID 123995432
(3E,5R,6E)-2-(1,2,4a,5,6,7-hexahydroquinolin-3-yl)-8,8-difluoro-5,7-dimethylocta-1,3,6-trien-3-amine
CID 130242712
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine
CID 141139585
(3R)-6-(1,2,4a,5,6,7-hexahydroquinolin-3-yl)-4-fluoro-3-methylcyclohexen-1-amine
CID 173958532
1-[4-[3-ethenyl-4-ethyl-2-[(E)-2-fluoroethenyl]-2,3-dihydro-1H-pyrrol-5-yl]cyclohexa-2,4-dien-1-yl]-N-methylmethanamine
CID 174319044
5,6,7,8,12,13-Hexahydro-1,4-dimethylcarbazole
CID 129881843
3-Methyl-11H-pyrido(4,3-a)carbazolium iodide
CID 149177
4-Methyl-7H-pyrido(2,3-c)carbazolium iodide
CID 153663
N-cyclohexyl-3-(6-fluorocyclohepta-1,3,6-trien-1-yl)-1-methyl-3a,4-dihydroazulen-6-amine
CID 143419199

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The IUPAC name of 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (CID 70524426) is 4-ethyl-6-methyl-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-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The canonical SMILES for 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene is CCC1=CC2=C3CCC=C4NCC(=C43)CC2C(C)N1.
What is the InChIKey of 4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The InChIKey is NFGDDYPHCVYJGK-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/h6,8,10,14,18-19H,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-1,3,9(16),12-tetraene?
4-ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),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-1,3,9(16),12-tetraene is sourced from PubChem (CID 70524426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).