4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine

C13H18ClN3 — CID 66089459

IUPAC4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine
SMILESCC(CCCl)CNCc1cn2ccccc2n1
InChIInChI=1S/C13H18ClN3/c1-11(5-6-14)8-15-9-12-10-17-7-3-2-4-13(17)16-12/h2-4,7,10-11,15H,5-6,8-9H2,1H3
InChIKeyYOXBAEPMCAAVAE-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.69
Rot. Bonds6

About 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine

4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine (PubChem CID 66089459) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine
PubChem CID66089459
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine
SMILESCC(CCCl)CNCc1cn2ccccc2n1
InChIInChI=1S/C13H18ClN3/c1-11(5-6-14)8-15-9-12-10-17-7-3-2-4-13(17)16-12/h2-4,7,10-11,15H,5-6,8-9H2,1H3
InChIKeyYOXBAEPMCAAVAE-UHFFFAOYSA-N
XLogP2.69
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63964732
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60687022
2-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexan-1-amine
CID 60683059
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyloctan-1-amine
CID 60689918
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-iodoethanamine
CID 114505443
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110929224
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111466942
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725
3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688880
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403593
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine
CID 106844928

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine?
The IUPAC name of 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine (CID 66089459) is 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine is CC(CCCl)CNCc1cn2ccccc2n1.
What is the InChIKey of 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine?
The InChIKey is YOXBAEPMCAAVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-11(5-6-14)8-15-9-12-10-17-7-3-2-4-13(17)16-12/h2-4,7,10-11,15H,5-6,8-9H2,1H3.
What are the key properties of 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine?
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 66089459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).