2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine

C15H22N4 — CID 82483690

IUPAC2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
SMILESNCCc1nc2cccnc2n1C1CCCCCC1
InChIInChI=1S/C15H22N4/c16-10-9-14-18-13-8-5-11-17-15(13)19(14)12-6-3-1-2-4-7-12/h5,8,11-12H,1-4,6-7,9-10,16H2
InChIKeyWJTATEWFKUEUOE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.83
Rot. Bonds3

About 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine

2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine (PubChem CID 82483690) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
PubChem CID82483690
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
SMILESNCCc1nc2cccnc2n1C1CCCCCC1
InChIInChI=1S/C15H22N4/c16-10-9-14-18-13-8-5-11-17-15(13)19(14)12-6-3-1-2-4-7-12/h5,8,11-12H,1-4,6-7,9-10,16H2
InChIKeyWJTATEWFKUEUOE-UHFFFAOYSA-N
XLogP2.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79289020
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
2-chloro-3-cyclopentylimidazo[4,5-b]pyridine
CID 102139378
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
CID 46331527
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea
CID 46331496
2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 79294540
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143
2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117165693

Frequently Asked Questions

What is the IUPAC name of 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine?
The IUPAC name of 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine (CID 82483690) is 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine?
The canonical SMILES for 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine is NCCc1nc2cccnc2n1C1CCCCCC1.
What is the InChIKey of 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine?
The InChIKey is WJTATEWFKUEUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c16-10-9-14-18-13-8-5-11-17-15(13)19(14)12-6-3-1-2-4-7-12/h5,8,11-12H,1-4,6-7,9-10,16H2.
What are the key properties of 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine?
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine is sourced from PubChem (CID 82483690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).