3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine

C15H20ClN3O — CID 61434192

IUPAC3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
SMILESCCN(CC1CCCO1)c1nc2ccccn2c1CCl
InChIInChI=1S/C15H20ClN3O/c1-2-18(11-12-6-5-9-20-12)15-13(10-16)19-8-4-3-7-14(19)17-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyNSQJVDOTERRYOU-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.08
Rot. Bonds5

About 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine

3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 61434192) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID61434192
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
SMILESCCN(CC1CCCO1)c1nc2ccccn2c1CCl
InChIInChI=1S/C15H20ClN3O/c1-2-18(11-12-6-5-9-20-12)15-13(10-16)19-8-4-3-7-14(19)17-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyNSQJVDOTERRYOU-UHFFFAOYSA-N
XLogP3.08
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.08
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-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 63785517
2-[ethyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61434670
3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432563
N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432564
3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 43478225
2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61432285
3-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 107402435
N-(cyclobutylmethyl)-N-ethyl-3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-amine
CID 107399992
[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol
CID 61435603
3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63865536
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
N-ethyl-5-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61435596

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine (CID 61434192) is 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine is CCN(CC1CCCO1)c1nc2ccccn2c1CCl.
What is the InChIKey of 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is NSQJVDOTERRYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-2-18(11-12-6-5-9-20-12)15-13(10-16)19-8-4-3-7-14(19)17-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3.
What are the key properties of 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine?
3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 61434192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).