N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine

C18H19N3S — CID 10518965

IUPACN,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine
SMILESCc1ccc2nn(CCN(C)C)c3c2c1Sc1ccccc1-3
InChIInChI=1S/C18H19N3S/c1-12-8-9-14-16-17(21(19-14)11-10-20(2)3)13-6-4-5-7-15(13)22-18(12)16/h4-9H,10-11H2,1-3H3
InChIKeyKWENJOSFNACKHR-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.04
Rot. Bonds3

About N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine

N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine (PubChem CID 10518965) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine
PubChem CID10518965
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC NameN,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine
SMILESCc1ccc2nn(CCN(C)C)c3c2c1Sc1ccccc1-3
InChIInChI=1S/C18H19N3S/c1-12-8-9-14-16-17(21(19-14)11-10-20(2)3)13-6-4-5-7-15(13)22-18(12)16/h4-9H,10-11H2,1-3H3
InChIKeyKWENJOSFNACKHR-UHFFFAOYSA-N
XLogP4.04
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine 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 N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine (CID 10518965) is N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine is Cc1ccc2nn(CCN(C)C)c3c2c1Sc1ccccc1-3.
What is the InChIKey of N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine?
The InChIKey is KWENJOSFNACKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-12-8-9-14-16-17(21(19-14)11-10-20(2)3)13-6-4-5-7-15(13)22-18(12)16/h4-9H,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine?
N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine has a molecular weight of 309.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-15-yl)ethanamine is sourced from PubChem (CID 10518965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).