8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline

C15H20N2 — CID 81215369

IUPAC8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(N3CC4CCC3C4)c1)NCCC2
InChIInChI=1S/C15H20N2/c1-3-12-4-2-8-16-15(12)14(5-1)17-10-11-6-7-13(17)9-11/h1,3,5,11,13,16H,2,4,6-10H2
InChIKeyBXJIEGBOATUPFO-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.03
Rot. Bonds1

About 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline

8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81215369) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81215369
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(N3CC4CCC3C4)c1)NCCC2
InChIInChI=1S/C15H20N2/c1-3-12-4-2-8-16-15(12)14(5-1)17-10-11-6-7-13(17)9-11/h1,3,5,11,13,16H,2,4,6-10H2
InChIKeyBXJIEGBOATUPFO-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline (CID 81215369) is 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(N3CC4CCC3C4)c1)NCCC2.
What is the InChIKey of 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is BXJIEGBOATUPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-12-4-2-8-16-15(12)14(5-1)17-10-11-6-7-13(17)9-11/h1,3,5,11,13,16H,2,4,6-10H2.
What are the key properties of 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline?
8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 228.34 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81215369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).