5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine

C15H27N3S — CID 112665343

IUPAC5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(C)C(CC)CSC
InChIInChI=1S/C15H27N3S/c1-6-14(11-19-5)18(4)15-8-12(3)17-10-13(15)9-16-7-2/h8,10,14,16H,6-7,9,11H2,1-5H3
InChIKeyFLVCPJNGRMWJRE-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.08
Rot. Bonds8

About 5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine

5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine (PubChem CID 112665343) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
PubChem CID112665343
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(C)C(CC)CSC
InChIInChI=1S/C15H27N3S/c1-6-14(11-19-5)18(4)15-8-12(3)17-10-13(15)9-16-7-2/h8,10,14,16H,6-7,9,11H2,1-5H3
InChIKeyFLVCPJNGRMWJRE-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
CID 81249414
5-(ethylaminomethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81248626
2-N-ethyl-2-N-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191539
N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81249618
N-ethyl-5-(ethylaminomethyl)-2-methyl-N-propylpyridin-4-amine
CID 81249866
4-(ethylaminomethyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115986265
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112662347
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81247485
5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine
CID 81247424
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 114853300
N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-2-methylpyridin-4-amine
CID 81247110
5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81250101

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The IUPAC name of 5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine (CID 112665343) is 5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine is CCNCc1cnc(C)cc1N(C)C(CC)CSC.
What is the InChIKey of 5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The InChIKey is FLVCPJNGRMWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-6-14(11-19-5)18(4)15-8-12(3)17-10-13(15)9-16-7-2/h8,10,14,16H,6-7,9,11H2,1-5H3.
What are the key properties of 5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
5-(ethylaminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine has a molecular weight of 281.47 g/mol, XLogP of 3.08, 8 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-(1-methylsulfanylbutan-2-yl)pyridin-4-amine is sourced from PubChem (CID 112665343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).