8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine

C16H27N — CID 134232100

IUPAC8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine
SMILESCC(C)(C)C1(C)CCCC2C=CC=NC2CC1
InChIInChI=1S/C16H27N/c1-15(2,3)16(4)10-5-7-13-8-6-12-17-14(13)9-11-16/h6,8,12-14H,5,7,9-11H2,1-4H3
InChIKeyAXVUJPODERBHAW-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.63
Rot. Bonds

About 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine

8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine (PubChem CID 134232100) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine.

Molecular Properties

Compound Name8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine
PubChem CID134232100
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine
SMILESCC(C)(C)C1(C)CCCC2C=CC=NC2CC1
InChIInChI=1S/C16H27N/c1-15(2,3)16(4)10-5-7-13-8-6-12-17-14(13)9-11-16/h6,8,12-14H,5,7,9-11H2,1-4H3
InChIKeyAXVUJPODERBHAW-UHFFFAOYSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine?
The IUPAC name of 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine (CID 134232100) is 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine.
What is the SMILES notation for 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine?
The canonical SMILES for 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine is CC(C)(C)C1(C)CCCC2C=CC=NC2CC1.
What is the InChIKey of 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine?
The InChIKey is AXVUJPODERBHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-15(2,3)16(4)10-5-7-13-8-6-12-17-14(13)9-11-16/h6,8,12-14H,5,7,9-11H2,1-4H3.
What are the key properties of 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine?
8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine has a molecular weight of 233.40 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-methyl-5,6,7,9,10,10a-hexahydro-4aH-cycloocta[b]pyridine is sourced from PubChem (CID 134232100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).