8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline

C13H17N — CID 106779417

IUPAC8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(CC3CC3)c1)NCCC2
InChIInChI=1S/C13H17N/c1-3-11-5-2-8-14-13(11)12(4-1)9-10-6-7-10/h1,3-4,10,14H,2,5-9H2
InChIKeyLJIRISXCWUNPBC-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.00
Rot. Bonds2

About 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline

8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106779417) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106779417
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(CC3CC3)c1)NCCC2
InChIInChI=1S/C13H17N/c1-3-11-5-2-8-14-13(11)12(4-1)9-10-6-7-10/h1,3-4,10,14H,2,5-9H2
InChIKeyLJIRISXCWUNPBC-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64774667
8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106778023
8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106780595
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
4-ethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclohexan-1-amine
CID 80648414
2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine
CID 84655683
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol
CID 80649380
8-(3-methylbut-2-enyl)-1,2,3,4-tetrahydroquinoline
CID 13184570
8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82510182
1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648401
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide
CID 81423062

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline (CID 106779417) is 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(CC3CC3)c1)NCCC2.
What is the InChIKey of 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LJIRISXCWUNPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-11-5-2-8-14-13(11)12(4-1)9-10-6-7-10/h1,3-4,10,14H,2,5-9H2.
What are the key properties of 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline?
8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).