7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine

C14H19N3 — CID 82572376

IUPAC7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
SMILESCCc1ccc2c(NC)cnc(N(C)C)c2c1
InChIInChI=1S/C14H19N3/c1-5-10-6-7-11-12(8-10)14(17(3)4)16-9-13(11)15-2/h6-9,15H,5H2,1-4H3
InChIKeyQVNDQELTGLXJAY-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.90
Rot. Bonds3

About 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine

7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine (PubChem CID 82572376) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine.

Molecular Properties

Compound Name7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
PubChem CID82572376
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
SMILESCCc1ccc2c(NC)cnc(N(C)C)c2c1
InChIInChI=1S/C14H19N3/c1-5-10-6-7-11-12(8-10)14(17(3)4)16-9-13(11)15-2/h6-9,15H,5H2,1-4H3
InChIKeyQVNDQELTGLXJAY-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
CID 82572366
4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 90883048
6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62201831
5-(4-ethylphenyl)-N-methylpyridin-2-amine
CID 143417999
6-ethyl-N,4-dimethylquinolin-2-amine
CID 84619685
N-[5-ethyl-2-(methylamino)phenyl]-N-methylformamide
CID 155460422
6-ethyl-N-(2-methoxyphenyl)quinazolin-4-amine
CID 21002616
6-ethyl-2-(methylamino)quinoline-4-carbonitrile
CID 84621553
4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80816371
5-chloro-N-(4-ethylphenyl)-3-fluoro-N-methylpyridin-2-amine
CID 79728090
N-methyl-5-propylpyridin-2-amine
CID 88974517
ethane;2,3,6,7,10,11-hexaethyltriphenylene;2,6,10-triethyltriphenylene
CID 158781972

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine?
The IUPAC name of 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine (CID 82572376) is 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine.
What is the SMILES notation for 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine?
The canonical SMILES for 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine is CCc1ccc2c(NC)cnc(N(C)C)c2c1.
What is the InChIKey of 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine?
The InChIKey is QVNDQELTGLXJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-10-6-7-11-12(8-10)14(17(3)4)16-9-13(11)15-2/h6-9,15H,5H2,1-4H3.
What are the key properties of 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine?
7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine has a molecular weight of 229.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine is sourced from PubChem (CID 82572376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).