6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine

C18H23N3 — CID 106947950

IUPAC6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine
SMILESNc1c(N2CCCC2C2CCCC2)ccc2cnccc12
InChIInChI=1S/C18H23N3/c19-18-15-9-10-20-12-14(15)7-8-17(18)21-11-3-6-16(21)13-4-1-2-5-13/h7-10,12-13,16H,1-6,11,19H2
InChIKeyCEZJKDTYDLSGKR-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.98
Rot. Bonds2

About 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine

6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine (PubChem CID 106947950) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine.

Molecular Properties

Compound Name6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine
PubChem CID106947950
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine
SMILESNc1c(N2CCCC2C2CCCC2)ccc2cnccc12
InChIInChI=1S/C18H23N3/c19-18-15-9-10-20-12-14(15)7-8-17(18)21-11-3-6-16(21)13-4-1-2-5-13/h7-10,12-13,16H,1-6,11,19H2
InChIKeyCEZJKDTYDLSGKR-UHFFFAOYSA-N
XLogP3.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
CID 81247229
(4aR,8aR)-1-[4-(chloromethyl)-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727745
6-(8-azaspiro[4.5]decan-8-yl)isoquinolin-5-amine
CID 106948060
6-(1,4-oxazepan-4-yl)isoquinolin-5-amine
CID 106948042
6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine
CID 106947725
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81246932
4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine
CID 103000935
2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
CID 106948479
N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073329
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
6-cycloheptyloxyisoquinolin-5-amine
CID 106948663
1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol
CID 106948453

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine?
The IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine (CID 106947950) is 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine.
What is the SMILES notation for 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine?
The canonical SMILES for 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine is Nc1c(N2CCCC2C2CCCC2)ccc2cnccc12.
What is the InChIKey of 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine?
The InChIKey is CEZJKDTYDLSGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c19-18-15-9-10-20-12-14(15)7-8-17(18)21-11-3-6-16(21)13-4-1-2-5-13/h7-10,12-13,16H,1-6,11,19H2.
What are the key properties of 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine?
6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine has a molecular weight of 281.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine is sourced from PubChem (CID 106947950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).