5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine

C15H21N3S — CID 81250101

IUPAC5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(C)Cc1cccs1
InChIInChI=1S/C15H21N3S/c1-4-16-9-13-10-17-12(2)8-15(13)18(3)11-14-6-5-7-19-14/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyGMSKHKMQJOEKKO-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.20
Rot. Bonds6

About 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine

5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine (PubChem CID 81250101) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
PubChem CID81250101
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(C)Cc1cccs1
InChIInChI=1S/C15H21N3S/c1-4-16-9-13-10-17-12(2)8-15(13)18(3)11-14-6-5-7-19-14/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyGMSKHKMQJOEKKO-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81248626
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 113388061
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine
CID 81247424
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81247485
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
3-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81246160
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63552450
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
CID 81249049
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81253943
N-ethyl-5-(ethylaminomethyl)-2-methyl-N-propylpyridin-4-amine
CID 81249866

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine?
The IUPAC name of 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine (CID 81250101) is 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine is CCNCc1cnc(C)cc1N(C)Cc1cccs1.
What is the InChIKey of 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine?
The InChIKey is GMSKHKMQJOEKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-16-9-13-10-17-12(2)8-15(13)18(3)11-14-6-5-7-19-14/h5-8,10,16H,4,9,11H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine?
5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 81250101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).