N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine

C17H20N4 — CID 102626248

IUPACN-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine
SMILESCCCN(Cc1ccc(N)cc1)c1cccc2nccn12
InChIInChI=1S/C17H20N4/c1-2-11-20(13-14-6-8-15(18)9-7-14)17-5-3-4-16-19-10-12-21(16)17/h3-10,12H,2,11,13,18H2,1H3
InChIKeyBEBHKBIBALZLQI-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.33
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine

N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine (PubChem CID 102626248) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine
PubChem CID102626248
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine
SMILESCCCN(Cc1ccc(N)cc1)c1cccc2nccn12
InChIInChI=1S/C17H20N4/c1-2-11-20(13-14-6-8-15(18)9-7-14)17-5-3-4-16-19-10-12-21(16)17/h3-10,12H,2,11,13,18H2,1H3
InChIKeyBEBHKBIBALZLQI-UHFFFAOYSA-N
XLogP3.33
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-imidazo[1,2-a]pyridin-5-yl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 102626169
N-[[4-(aminomethyl)phenyl]methyl]-N-methylimidazo[1,2-a]pyridin-5-amine
CID 102625157
N,N-dimethylimidazo[1,2-a]pyridin-5-amine
CID 130557663
N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine
CID 60877045
N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine
CID 55039868
2-[imidazo[1,2-a]pyridin-5-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484547
3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide
CID 102625286
4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 65477008
N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine
CID 102627021
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
N'-imidazo[1,2-a]pyridin-5-yl-N'-(2-methylphenyl)propane-1,3-diamine
CID 102625132
N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732904

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine (CID 102626248) is N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine is CCCN(Cc1ccc(N)cc1)c1cccc2nccn12.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine?
The InChIKey is BEBHKBIBALZLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-11-20(13-14-6-8-15(18)9-7-14)17-5-3-4-16-19-10-12-21(16)17/h3-10,12H,2,11,13,18H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine?
N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine has a molecular weight of 280.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 102626248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).