N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine

C18H20N2S — CID 13015681

IUPACN,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine
SMILESCN(C)CC1Cc2cccc3c2N(C1)c1ccccc1S3
InChIInChI=1S/C18H20N2S/c1-19(2)11-13-10-14-6-5-9-17-18(14)20(12-13)15-7-3-4-8-16(15)21-17/h3-9,13H,10-12H2,1-2H3
InChIKeyFISKMTGUXLEBAZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.02
Rot. Bonds2

About N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine

N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine (PubChem CID 13015681) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine
PubChem CID13015681
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine
SMILESCN(C)CC1Cc2cccc3c2N(C1)c1ccccc1S3
InChIInChI=1S/C18H20N2S/c1-19(2)11-13-10-14-6-5-9-17-18(14)20(12-13)15-7-3-4-8-16(15)21-17/h3-9,13H,10-12H2,1-2H3
InChIKeyFISKMTGUXLEBAZ-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine (CID 13015681) is N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine is CN(C)CC1Cc2cccc3c2N(C1)c1ccccc1S3.
What is the InChIKey of N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine?
The InChIKey is FISKMTGUXLEBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-19(2)11-13-10-14-6-5-9-17-18(14)20(12-13)15-7-3-4-8-16(15)21-17/h3-9,13H,10-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine?
N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine has a molecular weight of 296.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-yl)methanamine is sourced from PubChem (CID 13015681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).