1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C15H29NO2 — CID 65319822

IUPAC1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCCOC(CCN1CCCC2CCCC21)OCC
InChIInChI=1S/C15H29NO2/c1-3-17-15(18-4-2)10-12-16-11-6-8-13-7-5-9-14(13)16/h13-15H,3-12H2,1-2H3
InChIKeyHYNXLVXUCOZMPN-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.04
Rot. Bonds7

About 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 65319822) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID65319822
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCCOC(CCN1CCCC2CCCC21)OCC
InChIInChI=1S/C15H29NO2/c1-3-17-15(18-4-2)10-12-16-11-6-8-13-7-5-9-14(13)16/h13-15H,3-12H2,1-2H3
InChIKeyHYNXLVXUCOZMPN-UHFFFAOYSA-N
XLogP3.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 65319822) is 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is CCOC(CCN1CCCC2CCCC21)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is HYNXLVXUCOZMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-17-15(18-4-2)10-12-16-11-6-8-13-7-5-9-14(13)16/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 255.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 65319822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).