3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine

C13H16ClN3 — CID 43478225

IUPAC3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine
SMILESCCN(c1nc2ccccn2c1CCl)C1CC1
InChIInChI=1S/C13H16ClN3/c1-2-16(10-6-7-10)13-11(9-14)17-8-4-3-5-12(17)15-13/h3-5,8,10H,2,6-7,9H2,1H3
InChIKeyWMPHHBOSOAJZJQ-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.06
Rot. Bonds4

About 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine

3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine (PubChem CID 43478225) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine
PubChem CID43478225
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine
SMILESCCN(c1nc2ccccn2c1CCl)C1CC1
InChIInChI=1S/C13H16ClN3/c1-2-16(10-6-7-10)13-11(9-14)17-8-4-3-5-12(17)15-13/h3-5,8,10H,2,6-7,9H2,1H3
InChIKeyWMPHHBOSOAJZJQ-UHFFFAOYSA-N
XLogP3.06
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine (CID 43478225) is 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine is CCN(c1nc2ccccn2c1CCl)C1CC1.
What is the InChIKey of 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine?
The InChIKey is WMPHHBOSOAJZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-16(10-6-7-10)13-11(9-14)17-8-4-3-5-12(17)15-13/h3-5,8,10H,2,6-7,9H2,1H3.
What are the key properties of 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine?
3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine has a molecular weight of 249.74 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 43478225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).