2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine

C18H22N2 — CID 79561076

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
SMILESNC(CC1CC2CCC1C2)c1nccc2ccccc12
InChIInChI=1S/C18H22N2/c19-17(11-15-10-12-5-6-14(15)9-12)18-16-4-2-1-3-13(16)7-8-20-18/h1-4,7-8,12,14-15,17H,5-6,9-11,19H2
InChIKeyLYMWWWUKZXOMNC-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine (PubChem CID 79561076) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
PubChem CID79561076
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
SMILESNC(CC1CC2CCC1C2)c1nccc2ccccc12
InChIInChI=1S/C18H22N2/c19-17(11-15-10-12-5-6-14(15)9-12)18-16-4-2-1-3-13(16)7-8-20-18/h1-4,7-8,12,14-15,17H,5-6,9-11,19H2
InChIKeyLYMWWWUKZXOMNC-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine with MolForge

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Related Compounds

2-cyclopentyl-1-isoquinolin-1-ylethanamine
CID 63950469
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105032228
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755618
2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
CID 105167884
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine
CID 105052415
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115853955
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 112727149
1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
CID 63519467
(2-cyclobutyl-1-isoquinolin-1-ylethyl)hydrazine
CID 105220628
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine
CID 103137904
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-pyridin-2-ylethanamine
CID 79558657

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine (CID 79561076) is 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine is NC(CC1CC2CCC1C2)c1nccc2ccccc12.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine?
The InChIKey is LYMWWWUKZXOMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-17(11-15-10-12-5-6-14(15)9-12)18-16-4-2-1-3-13(16)7-8-20-18/h1-4,7-8,12,14-15,17H,5-6,9-11,19H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine has a molecular weight of 266.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine is sourced from PubChem (CID 79561076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).