3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine

C14H22N4S — CID 112662314

IUPAC3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCCC(CSC)N(C)c1nc2ccccn2c1CN
InChIInChI=1S/C14H22N4S/c1-4-11(10-19-3)17(2)14-12(9-15)18-8-6-5-7-13(18)16-14/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyBGTFBLWVHLNGDQ-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.37
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine

3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 112662314) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine
PubChem CID112662314
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCCC(CSC)N(C)c1nc2ccccn2c1CN
InChIInChI=1S/C14H22N4S/c1-4-11(10-19-3)17(2)14-12(9-15)18-8-6-5-7-13(18)16-14/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyBGTFBLWVHLNGDQ-UHFFFAOYSA-N
XLogP2.37
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine
CID 115986277
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 61412739
3-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 43611478
3-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 43528424
[2-[methyl(propan-2-yl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478078
3-(2-aminoethyl)-N-methyl-N-(2-methylbutyl)imidazo[1,2-a]pyridin-2-amine
CID 63783911
3-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 105415944
[2-[methyl(pentan-2-yl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43572328
(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82504617
[2-[methyl(3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43570323
2-[[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]cyclohexan-1-ol
CID 102633037
N-butan-2-yl-3-[(cyclopropylamino)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 43478455

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine (CID 112662314) is 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine is CCC(CSC)N(C)c1nc2ccccn2c1CN.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is BGTFBLWVHLNGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-11(10-19-3)17(2)14-12(9-15)18-8-6-5-7-13(18)16-14/h5-8,11H,4,9-10,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine?
3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 278.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 112662314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).