3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine

C15H25N — CID 58689778

IUPAC3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
SMILESCC(C)C1=NC2CCCC2C=C1C(C)(C)C
InChIInChI=1S/C15H25N/c1-10(2)14-12(15(3,4)5)9-11-7-6-8-13(11)16-14/h9-11,13H,6-8H2,1-5H3
InChIKeyUSWSBBDBFREFGP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.24
Rot. Bonds1

About 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine

3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine (PubChem CID 58689778) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
PubChem CID58689778
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
SMILESCC(C)C1=NC2CCCC2C=C1C(C)(C)C
InChIInChI=1S/C15H25N/c1-10(2)14-12(15(3,4)5)9-11-7-6-8-13(11)16-14/h9-11,13H,6-8H2,1-5H3
InChIKeyUSWSBBDBFREFGP-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine?
The IUPAC name of 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine (CID 58689778) is 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine.
What is the SMILES notation for 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine?
The canonical SMILES for 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine is CC(C)C1=NC2CCCC2C=C1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine?
The InChIKey is USWSBBDBFREFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10(2)14-12(15(3,4)5)9-11-7-6-8-13(11)16-14/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine?
3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine has a molecular weight of 219.37 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine is sourced from PubChem (CID 58689778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).