1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine

C11H17N — CID 67190186

IUPAC1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine
SMILESCC1NCCC2=CC(C)(C)C=C21
InChIInChI=1S/C11H17N/c1-8-10-7-11(2,3)6-9(10)4-5-12-8/h6-8,12H,4-5H2,1-3H3
InChIKeyRFUIVDMAOSEIIZ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.26
Rot. Bonds

About 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine

1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine (PubChem CID 67190186) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine.

Molecular Properties

Compound Name1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine
PubChem CID67190186
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine
SMILESCC1NCCC2=CC(C)(C)C=C21
InChIInChI=1S/C11H17N/c1-8-10-7-11(2,3)6-9(10)4-5-12-8/h6-8,12H,4-5H2,1-3H3
InChIKeyRFUIVDMAOSEIIZ-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine?
The IUPAC name of 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine (CID 67190186) is 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine.
What is the SMILES notation for 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine?
The canonical SMILES for 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine is CC1NCCC2=CC(C)(C)C=C21.
What is the InChIKey of 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine?
The InChIKey is RFUIVDMAOSEIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-10-7-11(2,3)6-9(10)4-5-12-8/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine?
1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine is sourced from PubChem (CID 67190186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).