3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine

C16H17N3S — CID 43527791

IUPAC3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
SMILESCN(Cc1cccs1)c1nc2ccccc2cc1CN
InChIInChI=1S/C16H17N3S/c1-19(11-14-6-4-8-20-14)16-13(10-17)9-12-5-2-3-7-15(12)18-16/h2-9H,10-11,17H2,1H3
InChIKeyPHBTWZJFVCBKCO-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.39
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine

3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine (PubChem CID 43527791) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
PubChem CID43527791
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
SMILESCN(Cc1cccs1)c1nc2ccccc2cc1CN
InChIInChI=1S/C16H17N3S/c1-19(11-14-6-4-8-20-14)16-13(10-17)9-12-5-2-3-7-15(12)18-16/h2-9H,10-11,17H2,1H3
InChIKeyPHBTWZJFVCBKCO-UHFFFAOYSA-N
XLogP3.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
CID 62208946
N-[(4-bromothiophen-2-yl)methyl]-3-(chloromethyl)-N-methylquinolin-2-amine
CID 63541779
3-(aminomethyl)-N,N-dibutylquinolin-2-amine
CID 28983445
2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
CID 113425934
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114057374
(2-thiophen-2-ylsulfanylquinolin-3-yl)methanamine
CID 55239413
3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
CID 43269833
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine (CID 43527791) is 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine is CN(Cc1cccs1)c1nc2ccccc2cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine?
The InChIKey is PHBTWZJFVCBKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-19(11-14-6-4-8-20-14)16-13(10-17)9-12-5-2-3-7-15(12)18-16/h2-9H,10-11,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine?
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 43527791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).