(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine

C17H22N2 — CID 107038712

IUPAC(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccc2cnccc2c1)C1CCCC1
InChIInChI=1S/C17H22N2/c1-13(15-4-2-3-5-15)19-11-14-6-7-17-12-18-9-8-16(17)10-14/h6-10,12-13,15,19H,2-5,11H2,1H3/t13-/m1/s1
InChIKeyHFXHLQGXRIJURB-CYBMUJFWSA-N
MW254.38 g/mol
LogP3.90
Rot. Bonds4

About (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine

(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine (PubChem CID 107038712) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
PubChem CID107038712
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccc2cnccc2c1)C1CCCC1
InChIInChI=1S/C17H22N2/c1-13(15-4-2-3-5-15)19-11-14-6-7-17-12-18-9-8-16(17)10-14/h6-10,12-13,15,19H,2-5,11H2,1H3/t13-/m1/s1
InChIKeyHFXHLQGXRIJURB-CYBMUJFWSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038710
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
CID 81388844
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
CID 81394526
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
N-(isoquinolin-6-ylmethyl)heptan-2-amine
CID 107037843
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine (CID 107038712) is (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine is C[C@@H](NCc1ccc2cnccc2c1)C1CCCC1.
What is the InChIKey of (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine?
The InChIKey is HFXHLQGXRIJURB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(15-4-2-3-5-15)19-11-14-6-7-17-12-18-9-8-16(17)10-14/h6-10,12-13,15,19H,2-5,11H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine?
(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine is sourced from PubChem (CID 107038712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).