2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine

C15H25N — CID 134492237

IUPAC2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine
SMILESCC(C)CC1=NC2CCCCCCC2C=C1
InChIInChI=1S/C15H25N/c1-12(2)11-14-10-9-13-7-5-3-4-6-8-15(13)16-14/h9-10,12-13,15H,3-8,11H2,1-2H3
InChIKeyGNDRKCNGKNYZJA-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.38
Rot. Bonds2

About 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine

2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine (PubChem CID 134492237) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine.

Molecular Properties

Compound Name2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine
PubChem CID134492237
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine
SMILESCC(C)CC1=NC2CCCCCCC2C=C1
InChIInChI=1S/C15H25N/c1-12(2)11-14-10-9-13-7-5-3-4-6-8-15(13)16-14/h9-10,12-13,15H,3-8,11H2,1-2H3
InChIKeyGNDRKCNGKNYZJA-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine?
The IUPAC name of 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine (CID 134492237) is 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine.
What is the SMILES notation for 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine?
The canonical SMILES for 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine is CC(C)CC1=NC2CCCCCCC2C=C1.
What is the InChIKey of 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine?
The InChIKey is GNDRKCNGKNYZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)11-14-10-9-13-7-5-3-4-6-8-15(13)16-14/h9-10,12-13,15H,3-8,11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine?
2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine has a molecular weight of 219.37 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine is sourced from PubChem (CID 134492237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).