3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine

C15H20BrN3O — CID 107083717

IUPAC3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
SMILESCN(CC1CCOCC1)c1nc2ccccn2c1CBr
InChIInChI=1S/C15H20BrN3O/c1-18(11-12-5-8-20-9-6-12)15-13(10-16)19-7-3-2-4-14(19)17-15/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyNYUDSMXBDFNJBJ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.09
Rot. Bonds4

About 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine

3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 107083717) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID107083717
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
SMILESCN(CC1CCOCC1)c1nc2ccccn2c1CBr
InChIInChI=1S/C15H20BrN3O/c1-18(11-12-5-8-20-9-6-12)15-13(10-16)19-7-3-2-4-14(19)17-15/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyNYUDSMXBDFNJBJ-UHFFFAOYSA-N
XLogP3.09
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methylimidazo[1,2-a]pyridin-2-amine
CID 63784288
3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 43611450
N-(cyclopropylmethyl)-N-methyl-3-[(propan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-amine
CID 60985016
3-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylimidazo[1,2-a]pyridin-2-amine
CID 63059882
3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63865536
3-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 43611478
3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
CID 107080119
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine
CID 107081480
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
3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432563
2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55126139

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine (CID 107083717) is 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine is CN(CC1CCOCC1)c1nc2ccccn2c1CBr.
What is the InChIKey of 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is NYUDSMXBDFNJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-18(11-12-5-8-20-9-6-12)15-13(10-16)19-7-3-2-4-14(19)17-15/h2-4,7,12H,5-6,8-11H2,1H3.
What are the key properties of 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 338.25 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 107083717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).