1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine

C15H25N — CID 134322726

IUPAC1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
SMILESCCC1=CN=C(CC)C2CCCCCCC12
InChIInChI=1S/C15H25N/c1-3-12-11-16-15(4-2)14-10-8-6-5-7-9-13(12)14/h11,13-14H,3-10H2,1-2H3
InChIKeyCXHXTOJIYSYLGE-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.73
Rot. Bonds2

About 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine

1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine (PubChem CID 134322726) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine.

Molecular Properties

Compound Name1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
PubChem CID134322726
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
SMILESCCC1=CN=C(CC)C2CCCCCCC12
InChIInChI=1S/C15H25N/c1-3-12-11-16-15(4-2)14-10-8-6-5-7-9-13(12)14/h11,13-14H,3-10H2,1-2H3
InChIKeyCXHXTOJIYSYLGE-UHFFFAOYSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
CID 170274335
4-Cyclooctyl-5-methyl-3,4-dihydropyridine
CID 56982808
2,4-di(propan-2-yl)-3H-pyrrole
CID 60102688
2,3,5-Trimethyl-3,4-dihydropyridine
CID 70334290
1,4-Dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine
CID 71135169
3-Hexyl-2,4,5-trimethyl-3,4-dihydropyridine
CID 71140778
3-Propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole
CID 88981468
2-Butan-2-yl-5-methyl-3,4-dihydropyridine
CID 89004526
2,3,4,5-Tetramethyl-3,4-dihydropyridine
CID 89297037
3-methyl-2,4-di(propan-2-yl)-3H-pyrrole
CID 89308388
1,4-Dimethyl-4a,5,6,7,8,9,10,11,12,13,14,14a-dodecahydrocyclododeca[c]pyridine
CID 89994118
4-Hexyl-2,3,5-trimethyl-3,4-dihydropyridine
CID 90075443

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
The IUPAC name of 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine (CID 134322726) is 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine.
What is the SMILES notation for 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
The canonical SMILES for 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine is CCC1=CN=C(CC)C2CCCCCCC12.
What is the InChIKey of 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
The InChIKey is CXHXTOJIYSYLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-12-11-16-15(4-2)14-10-8-6-5-7-9-13(12)14/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine has a molecular weight of 219.37 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine is sourced from PubChem (CID 134322726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).