2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C17H27N3O — CID 63523815

IUPAC2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1OCC(CC)CCCC)CCC2
InChIInChI=1S/C17H27N3O/c1-3-5-7-12(4-2)11-21-17-14(16(18)19)10-13-8-6-9-15(13)20-17/h10,12H,3-9,11H2,1-2H3,(H3,18,19)
InChIKeyYJBZQAWGJSBYRR-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.45
Rot. Bonds8

About 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 63523815) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID63523815
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1OCC(CC)CCCC)CCC2
InChIInChI=1S/C17H27N3O/c1-3-5-7-12(4-2)11-21-17-14(16(18)19)10-13-8-6-9-15(13)20-17/h10,12H,3-9,11H2,1-2H3,(H3,18,19)
InChIKeyYJBZQAWGJSBYRR-UHFFFAOYSA-N
XLogP3.45
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 63523815) is 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1OCC(CC)CCCC)CCC2.
What is the InChIKey of 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is YJBZQAWGJSBYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-5-7-12(4-2)11-21-17-14(16(18)19)10-13-8-6-9-15(13)20-17/h10,12H,3-9,11H2,1-2H3,(H3,18,19).
What are the key properties of 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 289.42 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 63523815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).