2-cyclopentyl-1-isoquinolin-1-ylethanamine

C16H20N2 — CID 63950469

IUPAC2-cyclopentyl-1-isoquinolin-1-ylethanamine
SMILESNC(CC1CCCC1)c1nccc2ccccc12
InChIInChI=1S/C16H20N2/c17-15(11-12-5-1-2-6-12)16-14-8-4-3-7-13(14)9-10-18-16/h3-4,7-10,12,15H,1-2,5-6,11,17H2
InChIKeyFCFAJHRONSKIKY-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.81
Rot. Bonds3

About 2-cyclopentyl-1-isoquinolin-1-ylethanamine

2-cyclopentyl-1-isoquinolin-1-ylethanamine (PubChem CID 63950469) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-isoquinolin-1-ylethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-isoquinolin-1-ylethanamine
PubChem CID63950469
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-cyclopentyl-1-isoquinolin-1-ylethanamine
SMILESNC(CC1CCCC1)c1nccc2ccccc12
InChIInChI=1S/C16H20N2/c17-15(11-12-5-1-2-6-12)16-14-8-4-3-7-13(14)9-10-18-16/h3-4,7-10,12,15H,1-2,5-6,11,17H2
InChIKeyFCFAJHRONSKIKY-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclobutyl-1-isoquinolin-1-ylethyl)hydrazine
CID 105220628
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
CID 79561076
2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
isoquinolin-1-yl(oxan-3-yl)methanamine
CID 107136367
(1R)-2-cyclohexyl-1-pyridin-2-ylethanamine
CID 15808925
2-cyclopentyl-1-quinolin-2-ylethanamine
CID 63222470
[(2-ethylcyclohexyl)-isoquinolin-1-ylmethyl]hydrazine
CID 105220614
1-cyclobutyl-3-quinolin-4-ylpropan-2-amine
CID 103168915
N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine
CID 63948456
(1S)-2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293023
1-isoquinolin-1-ylnonan-1-amine
CID 63948030

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-isoquinolin-1-ylethanamine?
The IUPAC name of 2-cyclopentyl-1-isoquinolin-1-ylethanamine (CID 63950469) is 2-cyclopentyl-1-isoquinolin-1-ylethanamine.
What is the SMILES notation for 2-cyclopentyl-1-isoquinolin-1-ylethanamine?
The canonical SMILES for 2-cyclopentyl-1-isoquinolin-1-ylethanamine is NC(CC1CCCC1)c1nccc2ccccc12.
What is the InChIKey of 2-cyclopentyl-1-isoquinolin-1-ylethanamine?
The InChIKey is FCFAJHRONSKIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-15(11-12-5-1-2-6-12)16-14-8-4-3-7-13(14)9-10-18-16/h3-4,7-10,12,15H,1-2,5-6,11,17H2.
What are the key properties of 2-cyclopentyl-1-isoquinolin-1-ylethanamine?
2-cyclopentyl-1-isoquinolin-1-ylethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-isoquinolin-1-ylethanamine is sourced from PubChem (CID 63950469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).