(1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine

C14H21N3 — CID 39122817

IUPAC(1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine
SMILESCCC(CC)[C@H](N)c1cnc2c(C)cccn12
InChIInChI=1S/C14H21N3/c1-4-11(5-2)13(15)12-9-16-14-10(3)7-6-8-17(12)14/h6-9,11,13H,4-5,15H2,1-3H3/t13-/m0/s1
InChIKeyJRAHBRGVAJHAHM-ZDUSSCGKSA-N
MW231.34 g/mol
LogP3.08
Rot. Bonds4

About (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine

(1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine (PubChem CID 39122817) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine.

Molecular Properties

Compound Name(1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine
PubChem CID39122817
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine
SMILESCCC(CC)[C@H](N)c1cnc2c(C)cccn12
InChIInChI=1S/C14H21N3/c1-4-11(5-2)13(15)12-9-16-14-10(3)7-6-8-17(12)14/h6-9,11,13H,4-5,15H2,1-3H3/t13-/m0/s1
InChIKeyJRAHBRGVAJHAHM-ZDUSSCGKSA-N
XLogP3.08
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine?
The IUPAC name of (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine (CID 39122817) is (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine.
What is the SMILES notation for (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine?
The canonical SMILES for (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine is CCC(CC)[C@H](N)c1cnc2c(C)cccn12.
What is the InChIKey of (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine?
The InChIKey is JRAHBRGVAJHAHM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-11(5-2)13(15)12-9-16-14-10(3)7-6-8-17(12)14/h6-9,11,13H,4-5,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine?
(1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine is sourced from PubChem (CID 39122817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).