4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C13H25N — CID 89228890

IUPAC4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCCC1CCN(C(C)C)C2CCCC12
InChIInChI=1S/C13H25N/c1-4-11-8-9-14(10(2)3)13-7-5-6-12(11)13/h10-13H,4-9H2,1-3H3
InChIKeyCMADWZCDSXELFE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.30
Rot. Bonds2

About 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 89228890) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID89228890
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCCC1CCN(C(C)C)C2CCCC12
InChIInChI=1S/C13H25N/c1-4-11-8-9-14(10(2)3)13-7-5-6-12(11)13/h10-13H,4-9H2,1-3H3
InChIKeyCMADWZCDSXELFE-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 89228890) is 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is CCC1CCN(C(C)C)C2CCCC12.
What is the InChIKey of 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is CMADWZCDSXELFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-11-8-9-14(10(2)3)13-7-5-6-12(11)13/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 195.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 89228890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).