3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine

C29H46N6 — CID 159275965

IUPAC3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine
SMILESCCCCCN(C)CC.CCc1cccnc1.CCc1cnc2ccccn12.CCn1ccnc1
InChIInChI=1S/C9H10N2.C8H19N.C7H9N.C5H8N2/c1-2-8-7-10-9-5-3-4-6-11(8)9;1-4-6-7-8-9(3)5-2;1-2-7-4-3-5-8-6-7;1-2-7-4-3-6-5-7/h3-7H,2H2,1H3;4-8H2,1-3H3;3-6H,2H2,1H3;3-5H,2H2,1H3
InChIKeyKYHUOHRCULDQON-UHFFFAOYSA-N
MW478.73 g/mol
LogP6.57
Rot. Bonds8

About 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine

3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine (PubChem CID 159275965) has the molecular formula C29H46N6 and a molecular weight of 478.73 g/mol. Its IUPAC name is 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine.

Molecular Properties

Compound Name3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine
PubChem CID159275965
Molecular FormulaC29H46N6
Molecular Weight478.73 g/mol
Exact Mass478.38
IUPAC Name3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine
SMILESCCCCCN(C)CC.CCc1cccnc1.CCc1cnc2ccccn12.CCn1ccnc1
InChIInChI=1S/C9H10N2.C8H19N.C7H9N.C5H8N2/c1-2-8-7-10-9-5-3-4-6-11(8)9;1-4-6-7-8-9(3)5-2;1-2-7-4-3-5-8-6-7;1-2-7-4-3-6-5-7/h3-7H,2H2,1H3;4-8H2,1-3H3;3-6H,2H2,1H3;3-5H,2H2,1H3
InChIKeyKYHUOHRCULDQON-UHFFFAOYSA-N
XLogP6.57
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.73
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
CID 158584083
(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;[(cyclohexylamino)-phosphonomethyl]phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
CID 160728827
5-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methylpyrimidin-2-amine
CID 72874865
1-ethylimidazole;octane
CID 145297576
3-ethylpyridine
CID 10823
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46998655
1-butylimidazole;1-ethylimidazole;1-propylimidazole
CID 143151765
N,4-diethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90570761
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 178168711
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylpyridine-3-sulfonamide
CID 90570374
1-ethylimidazole;hydroiodide
CID 66751695

Frequently Asked Questions

What is the IUPAC name of 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine?
The IUPAC name of 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine (CID 159275965) is 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine.
What is the SMILES notation for 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine?
The canonical SMILES for 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine is CCCCCN(C)CC.CCc1cccnc1.CCc1cnc2ccccn12.CCn1ccnc1.
What is the InChIKey of 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine?
The InChIKey is KYHUOHRCULDQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C8H19N.C7H9N.C5H8N2/c1-2-8-7-10-9-5-3-4-6-11(8)9;1-4-6-7-8-9(3)5-2;1-2-7-4-3-5-8-6-7;1-2-7-4-3-6-5-7/h3-7H,2H2,1H3;4-8H2,1-3H3;3-6H,2H2,1H3;3-5H,2H2,1H3.
What are the key properties of 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine?
3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine has a molecular weight of 478.73 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine is sourced from PubChem (CID 159275965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).