N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine

C13H18ClN3 — CID 102627021

IUPACN-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine
SMILESCC(C)N(CCCCl)c1cccc2nccn12
InChIInChI=1S/C13H18ClN3/c1-11(2)16(9-4-7-14)13-6-3-5-12-15-8-10-17(12)13/h3,5-6,8,10-11H,4,7,9H2,1-2H3
InChIKeyLPLIDVSXWJFNIF-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.18
Rot. Bonds5

About N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine

N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine (PubChem CID 102627021) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine
PubChem CID102627021
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine
SMILESCC(C)N(CCCCl)c1cccc2nccn12
InChIInChI=1S/C13H18ClN3/c1-11(2)16(9-4-7-14)13-6-3-5-12-15-8-10-17(12)13/h3,5-6,8,10-11H,4,7,9H2,1-2H3
InChIKeyLPLIDVSXWJFNIF-UHFFFAOYSA-N
XLogP3.18
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[imidazo[1,2-a]pyridin-5-yl(propan-2-yl)amino]acetate
CID 102626836
N,N-dimethylimidazo[1,2-a]pyridin-5-amine
CID 130557663
N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733810
N-(3-chloropropyl)-1-methyl-N-propan-2-ylimidazol-2-amine
CID 63388587
N'-imidazo[1,2-a]pyridin-5-yl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 102626169
2-[imidazo[1,2-a]pyridin-5-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484547
N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine
CID 102627059
3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388310
N-[[4-(aminomethyl)phenyl]methyl]-N-methylimidazo[1,2-a]pyridin-5-amine
CID 102625157
N'-imidazo[1,2-a]pyridin-5-yl-N'-(2-methylphenyl)propane-1,3-diamine
CID 102625132
N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine
CID 102626248
N-(3-chloropropyl)-N-propan-2-yl-1,2,4-benzotriazin-3-amine
CID 103205065

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine (CID 102627021) is N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine is CC(C)N(CCCCl)c1cccc2nccn12.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine?
The InChIKey is LPLIDVSXWJFNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-11(2)16(9-4-7-14)13-6-3-5-12-15-8-10-17(12)13/h3,5-6,8,10-11H,4,7,9H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine?
N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine has a molecular weight of 251.76 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 102627021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).