1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine

C14H21N3S — CID 63819837

IUPAC1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine
SMILESCCCCSc1nc2ccccn2c1CC(C)N
InChIInChI=1S/C14H21N3S/c1-3-4-9-18-14-12(10-11(2)15)17-8-6-5-7-13(17)16-14/h5-8,11H,3-4,9-10,15H2,1-2H3
InChIKeyIPOVBGUMJXATEL-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.12
Rot. Bonds6

About 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine

1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine (PubChem CID 63819837) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine
PubChem CID63819837
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine
SMILESCCCCSc1nc2ccccn2c1CC(C)N
InChIInChI=1S/C14H21N3S/c1-3-4-9-18-14-12(10-11(2)15)17-8-6-5-7-13(17)16-14/h5-8,11H,3-4,9-10,15H2,1-2H3
InChIKeyIPOVBGUMJXATEL-UHFFFAOYSA-N
XLogP3.12
TPSA43.32 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818822
1-[2-(3-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818522
1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine
CID 55237980
1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63819265
1-[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63815908
3-(2-aminobutyl)-N-butyl-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 63786258
N-methyl-1-(2-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 63814200
1-[2-(2-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63786397
methyl 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylpropanoate
CID 63835303
ethane;2-methyl-3-pentylimidazo[1,2-a]pyridine
CID 91437982
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
3-(2-aminopropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63865302

Frequently Asked Questions

What is the IUPAC name of 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine?
The IUPAC name of 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine (CID 63819837) is 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine is CCCCSc1nc2ccccn2c1CC(C)N.
What is the InChIKey of 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine?
The InChIKey is IPOVBGUMJXATEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-4-9-18-14-12(10-11(2)15)17-8-6-5-7-13(17)16-14/h5-8,11H,3-4,9-10,15H2,1-2H3.
What are the key properties of 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine?
1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine is sourced from PubChem (CID 63819837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).