2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine

C11H17N5 — CID 81072327

IUPAC2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCC(CN)Cc1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C11H17N5/c1-2-7(6-12)5-10-14-8-3-4-9(13)15-11(8)16-10/h3-4,7H,2,5-6,12H2,1H3,(H3,13,14,15,16)
InChIKeyAVSIKXIKVYTLJU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.07
Rot. Bonds4

About 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine

2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 81072327) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID81072327
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCC(CN)Cc1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C11H17N5/c1-2-7(6-12)5-10-14-8-3-4-9(13)15-11(8)16-10/h3-4,7H,2,5-6,12H2,1H3,(H3,13,14,15,16)
InChIKeyAVSIKXIKVYTLJU-UHFFFAOYSA-N
XLogP1.07
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 81072327) is 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine is CCC(CN)Cc1nc2nc(N)ccc2[nH]1.
What is the InChIKey of 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is AVSIKXIKVYTLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-2-7(6-12)5-10-14-8-3-4-9(13)15-11(8)16-10/h3-4,7H,2,5-6,12H2,1H3,(H3,13,14,15,16).
What are the key properties of 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 219.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 81072327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).