6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine

C14H21N — CID 71155361

IUPAC6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCCC1c2ncccc2CC1C(C)(C)C
InChIInChI=1S/C14H21N/c1-5-11-12(14(2,3)4)9-10-7-6-8-15-13(10)11/h6-8,11-12H,5,9H2,1-4H3
InChIKeyUXNZNRQCVROYNL-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.79
Rot. Bonds1

About 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine

6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 71155361) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID71155361
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCCC1c2ncccc2CC1C(C)(C)C
InChIInChI=1S/C14H21N/c1-5-11-12(14(2,3)4)9-10-7-6-8-15-13(10)11/h6-8,11-12H,5,9H2,1-4H3
InChIKeyUXNZNRQCVROYNL-UHFFFAOYSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 89333129
2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 70928178
8-ethyl-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 167009222
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate
CID 177053667
(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline
CID 69281697
2-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 90142368
1-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-ol
CID 79746233
ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate
CID 86614352
7-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinoline
CID 138515872
6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinoline
CID 126639373
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 71155361) is 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine is CCC1c2ncccc2CC1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is UXNZNRQCVROYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-11-12(14(2,3)4)9-10-7-6-8-15-13(10)11/h6-8,11-12H,5,9H2,1-4H3.
What are the key properties of 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 203.33 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 71155361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).