ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine

C18H28N2 — CID 142194391

IUPACethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine
SMILESCC.CCC1c2cccc3c2C(=CNC3)CC1N(C)C
InChIInChI=1S/C16H22N2.C2H6/c1-4-13-14-7-5-6-11-9-17-10-12(16(11)14)8-15(13)18(2)3;1-2/h5-7,10,13,15,17H,4,8-9H2,1-3H3;1-2H3
InChIKeyBSTBKCFWAOTAPX-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.98
Rot. Bonds2

About ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine

ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine (PubChem CID 142194391) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine.

Molecular Properties

Compound Nameethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine
PubChem CID142194391
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Nameethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine
SMILESCC.CCC1c2cccc3c2C(=CNC3)CC1N(C)C
InChIInChI=1S/C16H22N2.C2H6/c1-4-13-14-7-5-6-11-9-17-10-12(16(11)14)8-15(13)18(2)3;1-2/h5-7,10,13,15,17H,4,8-9H2,1-3H3;1-2H3
InChIKeyBSTBKCFWAOTAPX-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine 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 ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine?
The IUPAC name of ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine (CID 142194391) is ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine.
What is the SMILES notation for ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine?
The canonical SMILES for ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine is CC.CCC1c2cccc3c2C(=CNC3)CC1N(C)C.
What is the InChIKey of ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine?
The InChIKey is BSTBKCFWAOTAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.C2H6/c1-4-13-14-7-5-6-11-9-17-10-12(16(11)14)8-15(13)18(2)3;1-2/h5-7,10,13,15,17H,4,8-9H2,1-3H3;1-2H3.
What are the key properties of ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine?
ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine has a molecular weight of 272.44 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-N,N-dimethyl-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-5-amine is sourced from PubChem (CID 142194391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).