N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine

C14H21N3S — CID 63805879

IUPACN-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
SMILESCCNCc1c(SC(C)CC)nc2ccccn12
InChIInChI=1S/C14H21N3S/c1-4-11(3)18-14-12(10-15-5-2)17-9-7-6-8-13(17)16-14/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyZHAHNVCFTVJAKP-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.33
Rot. Bonds6

About N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine

N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine (PubChem CID 63805879) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
PubChem CID63805879
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
SMILESCCNCc1c(SC(C)CC)nc2ccccn12
InChIInChI=1S/C14H21N3S/c1-4-11(3)18-14-12(10-15-5-2)17-9-7-6-8-13(17)16-14/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyZHAHNVCFTVJAKP-UHFFFAOYSA-N
XLogP3.33
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 63806480
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803177
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357572
3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol
CID 66136871
2-[[3-(ethylaminomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]propan-1-ol
CID 104552885
N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
CID 107761569
3-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)imidazo[1,2-a]pyridin-2-amine
CID 43478486
N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 55239075
N-methyl-1-(2-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 63814200
N-[(2-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43478543
3-(ethylaminomethyl)-N,N-dipropylimidazo[1,2-a]pyridin-2-amine
CID 43478234
3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylpropane-1,2-diol
CID 79671023

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine (CID 63805879) is N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine is CCNCc1c(SC(C)CC)nc2ccccn12.
What is the InChIKey of N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine?
The InChIKey is ZHAHNVCFTVJAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-11(3)18-14-12(10-15-5-2)17-9-7-6-8-13(17)16-14/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine?
N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63805879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).