4-cyclobutyl-1,2,3,4-tetrahydroquinoline

C13H17N — CID 82405278

IUPAC4-cyclobutyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)NCCC2C1CCC1
InChIInChI=1S/C13H17N/c1-2-7-13-12(6-1)11(8-9-14-13)10-4-3-5-10/h1-2,6-7,10-11,14H,3-5,8-9H2
InChIKeyPSMVTTHAYXMMJY-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.39
Rot. Bonds1

About 4-cyclobutyl-1,2,3,4-tetrahydroquinoline

4-cyclobutyl-1,2,3,4-tetrahydroquinoline (PubChem CID 82405278) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-cyclobutyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-cyclobutyl-1,2,3,4-tetrahydroquinoline
PubChem CID82405278
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-cyclobutyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)NCCC2C1CCC1
InChIInChI=1S/C13H17N/c1-2-7-13-12(6-1)11(8-9-14-13)10-4-3-5-10/h1-2,6-7,10-11,14H,3-5,8-9H2
InChIKeyPSMVTTHAYXMMJY-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-cyclobutyl-1,2,3,4-tetrahydroquinoline (CID 82405278) is 4-cyclobutyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-cyclobutyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-cyclobutyl-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)NCCC2C1CCC1.
What is the InChIKey of 4-cyclobutyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is PSMVTTHAYXMMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-7-13-12(6-1)11(8-9-14-13)10-4-3-5-10/h1-2,6-7,10-11,14H,3-5,8-9H2.
What are the key properties of 4-cyclobutyl-1,2,3,4-tetrahydroquinoline?
4-cyclobutyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82405278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).