3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine

C14H20BrN3 — CID 107080119

IUPAC3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
SMILESCCCCCN(C)c1nc2ccccn2c1CBr
InChIInChI=1S/C14H20BrN3/c1-3-4-6-9-17(2)14-12(11-15)18-10-7-5-8-13(18)16-14/h5,7-8,10H,3-4,6,9,11H2,1-2H3
InChIKeySSTPINSCAZXSMP-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.86
Rot. Bonds6

About 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine

3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine (PubChem CID 107080119) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
PubChem CID107080119
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
SMILESCCCCCN(C)c1nc2ccccn2c1CBr
InChIInChI=1S/C14H20BrN3/c1-3-4-6-9-17(2)14-12(11-15)18-10-7-5-8-13(18)16-14/h5,7-8,10H,3-4,6,9,11H2,1-2H3
InChIKeySSTPINSCAZXSMP-UHFFFAOYSA-N
XLogP3.86
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[butyl(methyl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478072
N-methyl-N-pentyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
CID 43478478
3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine
CID 107084185
3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]propanenitrile
CID 107079501
N-butyl-N-methyl-3-[(propan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-amine
CID 43478259
N'-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63784281
2-[[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]ethanol
CID 60961309
N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
CID 63010016
3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 107080940
3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107083717
3-(chloromethyl)-N,N-dimethylimidazo[1,2-a]pyridin-2-amine
CID 43478139
ethane;2-methyl-3-pentylimidazo[1,2-a]pyridine
CID 91437982

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine (CID 107080119) is 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine is CCCCCN(C)c1nc2ccccn2c1CBr.
What is the InChIKey of 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine?
The InChIKey is SSTPINSCAZXSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-3-4-6-9-17(2)14-12(11-15)18-10-7-5-8-13(18)16-14/h5,7-8,10H,3-4,6,9,11H2,1-2H3.
What are the key properties of 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine?
3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine has a molecular weight of 310.24 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 107080119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).