(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride

C9H13Cl2N3 — CID 155970924

IUPAC(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride
SMILESC[C@H](N)c1cn2ccccc2n1.Cl.Cl
InChIInChI=1S/C9H11N3.2ClH/c1-7(10)8-6-12-5-3-2-4-9(12)11-8;;/h2-7H,10H2,1H3;2*1H/t7-;;/m0../s1
InChIKeyZIRCCCYAELHTMM-KLXURFKVSA-N
MW234.13 g/mol
LogP2.20
Rot. Bonds1

About (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride

(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride (PubChem CID 155970924) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride
PubChem CID155970924
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride
SMILESC[C@H](N)c1cn2ccccc2n1.Cl.Cl
InChIInChI=1S/C9H11N3.2ClH/c1-7(10)8-6-12-5-3-2-4-9(12)11-8;;/h2-7H,10H2,1H3;2*1H/t7-;;/m0../s1
InChIKeyZIRCCCYAELHTMM-KLXURFKVSA-N
XLogP2.20
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-imidazo[1,2-a]pyridin-2-ylpropan-1-amine
CID 95048230
2-amino-1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-1-ol
CID 115347502
5-amino-4-imidazo[1,2-a]pyridin-2-ylpentan-2-ol
CID 81422720
methyl 2-hydroxy-2-imidazo[1,2-a]pyridin-2-ylacetate
CID 70818317
methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate
CID 66098741
4-amino-3-imidazo[1,2-a]pyridin-2-ylhexan-1-ol
CID 66092183
1-imidazo[1,2-a]pyridin-2-yl-2-methylpentan-1-ol
CID 107892679
3-amino-1-imidazo[1,2-a]pyridin-2-ylpropan-1-ol
CID 79125258
2-(aminomethyl)-1-imidazo[1,2-a]pyridin-2-yl-2-methylbutan-1-ol
CID 79124854
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359666
2-fluoroimidazo[1,2-a]pyridine
CID 68592134

Frequently Asked Questions

What is the IUPAC name of (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride?
The IUPAC name of (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride (CID 155970924) is (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride.
What is the SMILES notation for (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride?
The canonical SMILES for (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride is C[C@H](N)c1cn2ccccc2n1.Cl.Cl.
What is the InChIKey of (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride?
The InChIKey is ZIRCCCYAELHTMM-KLXURFKVSA-N. The full InChI is InChI=1S/C9H11N3.2ClH/c1-7(10)8-6-12-5-3-2-4-9(12)11-8;;/h2-7H,10H2,1H3;2*1H/t7-;;/m0../s1.
What are the key properties of (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride?
(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride is sourced from PubChem (CID 155970924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).