1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride

C9H15Cl2N3O — CID 73012288

IUPAC1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
SMILESCNCc1cnc2ccccn12.Cl.Cl.O
InChIInChI=1S/C9H11N3.2ClH.H2O/c1-10-6-8-7-11-9-4-2-3-5-12(8)9;;;/h2-5,7,10H,6H2,1H3;2*1H;1H2
InChIKeyLBXHWLOHFVBOCC-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.07
Rot. Bonds2

About 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride

1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride (PubChem CID 73012288) has the molecular formula C9H15Cl2N3O and a molecular weight of 252.15 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
PubChem CID73012288
Molecular FormulaC9H15Cl2N3O
Molecular Weight252.15 g/mol
Exact Mass251.06
IUPAC Name1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
SMILESCNCc1cnc2ccccn12.Cl.Cl.O
InChIInChI=1S/C9H11N3.2ClH.H2O/c1-10-6-8-7-11-9-4-2-3-5-12(8)9;;;/h2-5,7,10H,6H2,1H3;2*1H;1H2
InChIKeyLBXHWLOHFVBOCC-UHFFFAOYSA-N
XLogP1.07
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 115587150
N-methyl-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 55264135
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
CID 115639682
imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide
CID 14602276
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
2-(2-chlorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-methylpropan-1-amine
CID 86886867

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride?
The IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride (CID 73012288) is 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride is CNCc1cnc2ccccn12.Cl.Cl.O.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride?
The InChIKey is LBXHWLOHFVBOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.2ClH.H2O/c1-10-6-8-7-11-9-4-2-3-5-12(8)9;;;/h2-5,7,10H,6H2,1H3;2*1H;1H2.
What are the key properties of 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride?
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride has a molecular weight of 252.15 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride is sourced from PubChem (CID 73012288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).