2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine

C19H24N2 — CID 103137904

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1cccc2ccncc12
InChIInChI=1S/C19H24N2/c1-20-19(11-16-10-13-5-6-15(16)9-13)17-4-2-3-14-7-8-21-12-18(14)17/h2-4,7-8,12-13,15-16,19-20H,5-6,9-11H2,1H3
InChIKeyNSNRFOHYWMBHPK-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.32
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine (PubChem CID 103137904) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine
PubChem CID103137904
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1cccc2ccncc12
InChIInChI=1S/C19H24N2/c1-20-19(11-16-10-13-5-6-15(16)9-13)17-4-2-3-14-7-8-21-12-18(14)17/h2-4,7-8,12-13,15-16,19-20H,5-6,9-11H2,1H3
InChIKeyNSNRFOHYWMBHPK-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105167864
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79562379
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-pyridin-2-ylethanamine
CID 79558657
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
CID 43485837
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(2-propoxyphenyl)ethanamine
CID 105035765
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethyl-4-pyridinyl)ethyl]hydrazine
CID 105262326
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)-N-methylethanamine
CID 105012745
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 63502583
[2-(2-bicyclo[2.2.1]heptanyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196324

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine (CID 103137904) is 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine is CNC(CC1CC2CCC1C2)c1cccc2ccncc12.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine?
The InChIKey is NSNRFOHYWMBHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-20-19(11-16-10-13-5-6-15(16)9-13)17-4-2-3-14-7-8-21-12-18(14)17/h2-4,7-8,12-13,15-16,19-20H,5-6,9-11H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine has a molecular weight of 280.42 g/mol, XLogP of 4.32, 4 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-8-yl-N-methylethanamine is sourced from PubChem (CID 103137904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).