2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine

C12H21N3S — CID 112657230

IUPAC2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCCC(CSC)N(C)c1ccnc(CN)c1
InChIInChI=1S/C12H21N3S/c1-4-11(9-16-3)15(2)12-5-6-14-10(7-12)8-13/h5-7,11H,4,8-9,13H2,1-3H3
InChIKeyGIDJVUVAIJTSKT-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.12
Rot. Bonds6

About 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine

2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine (PubChem CID 112657230) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
PubChem CID112657230
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCCC(CSC)N(C)c1ccnc(CN)c1
InChIInChI=1S/C12H21N3S/c1-4-11(9-16-3)15(2)12-5-6-14-10(7-12)8-13/h5-7,11H,4,8-9,13H2,1-3H3
InChIKeyGIDJVUVAIJTSKT-UHFFFAOYSA-N
XLogP2.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol
CID 112663577
2-(aminomethyl)-N-butan-2-yl-N-methylpyridin-4-amine
CID 62300854
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine
CID 113368019
6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
CID 103955063
1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112661743
4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 113381450
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112657232
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657003
5-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 112665337
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 62980335
4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103955055
2-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 62300700

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine (CID 112657230) is 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine is CCC(CSC)N(C)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The InChIKey is GIDJVUVAIJTSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-11(9-16-3)15(2)12-5-6-14-10(7-12)8-13/h5-7,11H,4,8-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine is sourced from PubChem (CID 112657230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).