2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone

C19H21N3O — CID 3057657

IUPAC2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone
SMILESCNCC(=O)N1c2ccccc2N2CCc3cccc(c32)C1C
InChIInChI=1S/C19H21N3O/c1-13-15-7-5-6-14-10-11-21(19(14)15)16-8-3-4-9-17(16)22(13)18(23)12-20-2/h3-9,13,20H,10-12H2,1-2H3
InChIKeyMTLZRIGQAWMNMI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.01
Rot. Bonds2

About 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone

2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone (PubChem CID 3057657) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone
PubChem CID3057657
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone
SMILESCNCC(=O)N1c2ccccc2N2CCc3cccc(c32)C1C
InChIInChI=1S/C19H21N3O/c1-13-15-7-5-6-14-10-11-21(19(14)15)16-8-3-4-9-17(16)22(13)18(23)12-20-2/h3-9,13,20H,10-12H2,1-2H3
InChIKeyMTLZRIGQAWMNMI-UHFFFAOYSA-N
XLogP3.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone (CID 3057657) is 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone is CNCC(=O)N1c2ccccc2N2CCc3cccc(c32)C1C.
What is the InChIKey of 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone?
The InChIKey is MTLZRIGQAWMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-15-7-5-6-14-10-11-21(19(14)15)16-8-3-4-9-17(16)22(13)18(23)12-20-2/h3-9,13,20H,10-12H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone?
2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone has a molecular weight of 307.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanone is sourced from PubChem (CID 3057657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).