N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

C13H19N3S — CID 63964732

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cn2ccccc2n1
InChIInChI=1S/C13H19N3S/c1-11(10-17-2)7-14-8-12-9-16-6-4-3-5-13(16)15-12/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyUYYRMCHOEGWWRY-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.42
Rot. Bonds6

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63964732) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63964732
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cn2ccccc2n1
InChIInChI=1S/C13H19N3S/c1-11(10-17-2)7-14-8-12-9-16-6-4-3-5-13(16)15-12/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyUYYRMCHOEGWWRY-UHFFFAOYSA-N
XLogP2.42
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine
CID 66089459
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60687022
2-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexan-1-amine
CID 60683059
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyloctan-1-amine
CID 60689918
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-iodoethanamine
CID 114505443
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110929224
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111466942
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725
3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688880
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403593
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine
CID 106844928

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 63964732) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1cn2ccccc2n1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is UYYRMCHOEGWWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-11(10-17-2)7-14-8-12-9-16-6-4-3-5-13(16)15-12/h3-6,9,11,14H,7-8,10H2,1-2H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63964732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).