3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine

C17H19N3S — CID 62284333

IUPAC3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
SMILESCCN(Cc1cccs1)c1nc(CN)cc2ccccc12
InChIInChI=1S/C17H19N3S/c1-2-20(12-15-7-5-9-21-15)17-16-8-4-3-6-13(16)10-14(11-18)19-17/h3-10H,2,11-12,18H2,1H3
InChIKeySSXWKFIJUBWFLY-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.78
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine

3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine (PubChem CID 62284333) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
PubChem CID62284333
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
SMILESCCN(Cc1cccs1)c1nc(CN)cc2ccccc12
InChIInChI=1S/C17H19N3S/c1-2-20(12-15-7-5-9-21-15)17-16-8-4-3-6-13(16)10-14(11-18)19-17/h3-10H,2,11-12,18H2,1H3
InChIKeySSXWKFIJUBWFLY-UHFFFAOYSA-N
XLogP3.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine 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

3-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 55054975
N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997412
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
CID 63938907
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
CID 79489158
2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320885
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 61437514
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79915736
[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 62000735
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine (CID 62284333) is 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine is CCN(Cc1cccs1)c1nc(CN)cc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine?
The InChIKey is SSXWKFIJUBWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-20(12-15-7-5-9-21-15)17-16-8-4-3-6-13(16)10-14(11-18)19-17/h3-10H,2,11-12,18H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine?
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine has a molecular weight of 297.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine is sourced from PubChem (CID 62284333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).