N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine

C12H17N3O2 — CID 60687022

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine
SMILESCOC(CNCc1cn2ccccc2n1)OC
InChIInChI=1S/C12H17N3O2/c1-16-12(17-2)8-13-7-10-9-15-6-4-3-5-11(15)14-10/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyGYXAJUQDJZNCGH-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.04
Rot. Bonds6

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine (PubChem CID 60687022) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine
PubChem CID60687022
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine
SMILESCOC(CNCc1cn2ccccc2n1)OC
InChIInChI=1S/C12H17N3O2/c1-16-12(17-2)8-13-7-10-9-15-6-4-3-5-11(15)14-10/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyGYXAJUQDJZNCGH-UHFFFAOYSA-N
XLogP1.04
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110929224
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylbutan-1-amine
CID 66089459
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60698046
2-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexan-1-amine
CID 60683059
methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate
CID 75519312
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-iodoethanamine
CID 114505443
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111466942
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 65049447
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 103603783
2-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-1-amine
CID 114941119
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyloctan-1-amine
CID 60689918

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine (CID 60687022) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine is COC(CNCc1cn2ccccc2n1)OC.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine?
The InChIKey is GYXAJUQDJZNCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-16-12(17-2)8-13-7-10-9-15-6-4-3-5-11(15)14-10/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine has a molecular weight of 235.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine is sourced from PubChem (CID 60687022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).