N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride

C13H20ClN3 — CID 115587049

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
SMILESCCC(CC)NCc1cnc2ccccn12.Cl
InChIInChI=1S/C13H19N3.ClH/c1-3-11(4-2)14-9-12-10-15-13-7-5-6-8-16(12)13;/h5-8,10-11,14H,3-4,9H2,1-2H3;1H
InChIKeyXJWXTONGHDQOJF-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.03
Rot. Bonds5

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride

N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride (PubChem CID 115587049) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
PubChem CID115587049
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
SMILESCCC(CC)NCc1cnc2ccccn12.Cl
InChIInChI=1S/C13H19N3.ClH/c1-3-11(4-2)14-9-12-10-15-13-7-5-6-8-16(12)13;/h5-8,10-11,14H,3-4,9H2,1-2H3;1H
InChIKeyXJWXTONGHDQOJF-UHFFFAOYSA-N
XLogP3.03
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
CID 115639682
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979
2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 115587150
imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
1-(2,4-dimethylphenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)propan-2-amine
CID 86902138
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 86886111
2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine
CID 87021501
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride (CID 115587049) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride is CCC(CC)NCc1cnc2ccccn12.Cl.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride?
The InChIKey is XJWXTONGHDQOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.ClH/c1-3-11(4-2)14-9-12-10-15-13-7-5-6-8-16(12)13;/h5-8,10-11,14H,3-4,9H2,1-2H3;1H.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride has a molecular weight of 253.78 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride is sourced from PubChem (CID 115587049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).