3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine

C17H19N3S — CID 62208946

IUPAC3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
SMILESCCN(Cc1cccs1)Cc1cc2ccccc2nc1N
InChIInChI=1S/C17H19N3S/c1-2-20(12-15-7-5-9-21-15)11-14-10-13-6-3-4-8-16(13)19-17(14)18/h3-10H,2,11-12H2,1H3,(H2,18,19)
InChIKeyNZMPLPJWAZAZGJ-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.90
Rot. Bonds5

About 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine

3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine (PubChem CID 62208946) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
PubChem CID62208946
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
SMILESCCN(Cc1cccs1)Cc1cc2ccccc2nc1N
InChIInChI=1S/C17H19N3S/c1-2-20(12-15-7-5-9-21-15)11-14-10-13-6-3-4-8-16(13)19-17(14)18/h3-10H,2,11-12H2,1H3,(H2,18,19)
InChIKeyNZMPLPJWAZAZGJ-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791
2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 62208289
2-bromo-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 113335085
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484257
3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine
CID 62183102
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 62895005
2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol
CID 62182083
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine
CID 112664241
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 61436627

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine?
The IUPAC name of 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine (CID 62208946) is 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine?
The canonical SMILES for 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine is CCN(Cc1cccs1)Cc1cc2ccccc2nc1N.
What is the InChIKey of 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine?
The InChIKey is NZMPLPJWAZAZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-20(12-15-7-5-9-21-15)11-14-10-13-6-3-4-8-16(13)19-17(14)18/h3-10H,2,11-12H2,1H3,(H2,18,19).
What are the key properties of 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine?
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine has a molecular weight of 297.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 62208946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).