3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine

C12H19N5 — CID 96660585

IUPAC3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(CN)nc2cccnc21
InChIInChI=1S/C12H19N5/c1-16(2)7-4-8-17-11(9-13)15-10-5-3-6-14-12(10)17/h3,5-6H,4,7-9,13H2,1-2H3
InChIKeyPUAMHHRJMXDMPP-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.84
Rot. Bonds5

About 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine

3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine (PubChem CID 96660585) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
PubChem CID96660585
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(CN)nc2cccnc21
InChIInChI=1S/C12H19N5/c1-16(2)7-4-8-17-11(9-13)15-10-5-3-6-14-12(10)17/h3,5-6H,4,7-9,13H2,1-2H3
InChIKeyPUAMHHRJMXDMPP-UHFFFAOYSA-N
XLogP0.84
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
N,N-dimethyl-2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117161453
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163560
N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79294605
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289211
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117164109
2-[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 117163842
[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481512
2-(2-chloroethyl)-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine (CID 96660585) is 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1c(CN)nc2cccnc21.
What is the InChIKey of 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is PUAMHHRJMXDMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-16(2)7-4-8-17-11(9-13)15-10-5-3-6-14-12(10)17/h3,5-6H,4,7-9,13H2,1-2H3.
What are the key properties of 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine?
3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 96660585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).