N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine

C12H17N3S — CID 63982688

IUPACN-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1c(C)nc2ccccn12
InChIInChI=1S/C12H17N3S/c1-10-11(9-13-6-8-16-2)15-7-4-3-5-12(15)14-10/h3-5,7,13H,6,8-9H2,1-2H3
InChIKeyKWLQFVWGXQMWCC-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.10
Rot. Bonds5

About N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine

N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine (PubChem CID 63982688) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
PubChem CID63982688
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1c(C)nc2ccccn12
InChIInChI=1S/C12H17N3S/c1-10-11(9-13-6-8-16-2)15-7-4-3-5-12(15)14-10/h3-5,7,13H,6,8-9H2,1-2H3
InChIKeyKWLQFVWGXQMWCC-UHFFFAOYSA-N
XLogP2.10
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.10
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

N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
CID 115685656
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767977
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 54904820
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115674375
4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide
CID 60863042
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 103745424
3-(2-methoxyethoxy)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 43770876
ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
CID 64580281
1-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63292031
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 54896187
N-[(1-methylcyclohexyl)methyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 103753056
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79552337

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine (CID 63982688) is N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine is CSCCNCc1c(C)nc2ccccn12.
What is the InChIKey of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine?
The InChIKey is KWLQFVWGXQMWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-10-11(9-13-6-8-16-2)15-7-4-3-5-12(15)14-10/h3-5,7,13H,6,8-9H2,1-2H3.
What are the key properties of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine?
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 63982688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).