2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine

C14H23N5 — CID 79821623

IUPAC2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCCC(CCN)CCc1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C14H23N5/c1-2-3-10(8-9-15)4-7-13-17-11-5-6-12(16)18-14(11)19-13/h5-6,10H,2-4,7-9,15H2,1H3,(H3,16,17,18,19)
InChIKeyPKZIPXZRTOECQS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.24
Rot. Bonds7

About 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine

2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821623) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821623
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCCC(CCN)CCc1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C14H23N5/c1-2-3-10(8-9-15)4-7-13-17-11-5-6-12(16)18-14(11)19-13/h5-6,10H,2-4,7-9,15H2,1H3,(H3,16,17,18,19)
InChIKeyPKZIPXZRTOECQS-UHFFFAOYSA-N
XLogP2.24
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821623) is 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine is CCCC(CCN)CCc1nc2nc(N)ccc2[nH]1.
What is the InChIKey of 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is PKZIPXZRTOECQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-3-10(8-9-15)4-7-13-17-11-5-6-12(16)18-14(11)19-13/h5-6,10H,2-4,7-9,15H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 261.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)hexyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).