8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline

C17H23N — CID 106780595

IUPAC8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(CC3CC4CCC3C4)c1)NCCC2
InChIInChI=1S/C17H23N/c1-3-13-5-2-8-18-17(13)15(4-1)11-16-10-12-6-7-14(16)9-12/h1,3-4,12,14,16,18H,2,5-11H2
InChIKeyRHTZKXOIAIHZSD-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.02
Rot. Bonds2

About 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline

8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106780595) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106780595
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(CC3CC4CCC3C4)c1)NCCC2
InChIInChI=1S/C17H23N/c1-3-13-5-2-8-18-17(13)15(4-1)11-16-10-12-6-7-14(16)9-12/h1,3-4,12,14,16,18H,2,5-11H2
InChIKeyRHTZKXOIAIHZSD-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline (CID 106780595) is 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(CC3CC4CCC3C4)c1)NCCC2.
What is the InChIKey of 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is RHTZKXOIAIHZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-13-5-2-8-18-17(13)15(4-1)11-16-10-12-6-7-14(16)9-12/h1,3-4,12,14,16,18H,2,5-11H2.
What are the key properties of 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline?
8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).