N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine

C18H24N2S — CID 29285

IUPACN,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine
SMILESCN(C)CCSc1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C18H24N2S/c1-20(2)12-13-21-18-14-8-4-3-5-10-16(14)19-17-11-7-6-9-15(17)18/h6-7,9,11H,3-5,8,10,12-13H2,1-2H3
InChIKeyXKYCQIAYSYCXEE-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.16
Rot. Bonds4

About N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine

N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine (PubChem CID 29285) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine
PubChem CID29285
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine
SMILESCN(C)CCSc1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C18H24N2S/c1-20(2)12-13-21-18-14-8-4-3-5-10-16(14)19-17-11-7-6-9-15(17)18/h6-7,9,11H,3-5,8,10,12-13H2,1-2H3
InChIKeyXKYCQIAYSYCXEE-UHFFFAOYSA-N
XLogP4.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine (CID 29285) is N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine is CN(C)CCSc1c2c(nc3ccccc13)CCCCC2.
What is the InChIKey of N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine?
The InChIKey is XKYCQIAYSYCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-20(2)12-13-21-18-14-8-4-3-5-10-16(14)19-17-11-7-6-9-15(17)18/h6-7,9,11H,3-5,8,10,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine?
N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine is sourced from PubChem (CID 29285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).