N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine

C13H18ClN3 — CID 102627059

IUPACN-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine
SMILESCC(C)CC(CCl)Nc1cccc2nccn12
InChIInChI=1S/C13H18ClN3/c1-10(2)8-11(9-14)16-13-5-3-4-12-15-6-7-17(12)13/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeySXKHYIPSNCRLBJ-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.40
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine

N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine (PubChem CID 102627059) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine
PubChem CID102627059
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine
SMILESCC(C)CC(CCl)Nc1cccc2nccn12
InChIInChI=1S/C13H18ClN3/c1-10(2)8-11(9-14)16-13-5-3-4-12-15-6-7-17(12)13/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeySXKHYIPSNCRLBJ-UHFFFAOYSA-N
XLogP3.40
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
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 N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine (CID 102627059) is N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine is CC(C)CC(CCl)Nc1cccc2nccn12.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine?
The InChIKey is SXKHYIPSNCRLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-10(2)8-11(9-14)16-13-5-3-4-12-15-6-7-17(12)13/h3-7,10-11,16H,8-9H2,1-2H3.
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine?
N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine has a molecular weight of 251.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)imidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 102627059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).