5-cyclopentyloxyisoquinolin-8-amine

C14H16N2O — CID 43448847

IUPAC5-cyclopentyloxyisoquinolin-8-amine
SMILESNc1ccc(OC2CCCC2)c2ccncc12
InChIInChI=1S/C14H16N2O/c15-13-5-6-14(17-10-3-1-2-4-10)11-7-8-16-9-12(11)13/h5-10H,1-4,15H2
InChIKeySQGAUVKVRLVPGZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.14
Rot. Bonds2

About 5-cyclopentyloxyisoquinolin-8-amine

5-cyclopentyloxyisoquinolin-8-amine (PubChem CID 43448847) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-cyclopentyloxyisoquinolin-8-amine.

Molecular Properties

Compound Name5-cyclopentyloxyisoquinolin-8-amine
PubChem CID43448847
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-cyclopentyloxyisoquinolin-8-amine
SMILESNc1ccc(OC2CCCC2)c2ccncc12
InChIInChI=1S/C14H16N2O/c15-13-5-6-14(17-10-3-1-2-4-10)11-7-8-16-9-12(11)13/h5-10H,1-4,15H2
InChIKeySQGAUVKVRLVPGZ-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.14
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

5-cyclohexyloxyisoquinolin-8-amine
CID 43382765
8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
CID 103139941
6-cycloheptyloxyisoquinolin-5-amine
CID 106948663
5-N-cycloheptylisoquinoline-5,8-diamine
CID 43448815
5-cycloheptyloxy-3-methylisoquinolin-8-amine
CID 102713835
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
3-cyclopentyloxy-4-fluoropyridine
CID 130057810
3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde
CID 87405681
3-(oxan-4-yloxy)pyridin-4-amine
CID 126982739
4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine
CID 43518651
5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine
CID 63631040
5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine
CID 102713907

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyloxyisoquinolin-8-amine?
The IUPAC name of 5-cyclopentyloxyisoquinolin-8-amine (CID 43448847) is 5-cyclopentyloxyisoquinolin-8-amine.
What is the SMILES notation for 5-cyclopentyloxyisoquinolin-8-amine?
The canonical SMILES for 5-cyclopentyloxyisoquinolin-8-amine is Nc1ccc(OC2CCCC2)c2ccncc12.
What is the InChIKey of 5-cyclopentyloxyisoquinolin-8-amine?
The InChIKey is SQGAUVKVRLVPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-13-5-6-14(17-10-3-1-2-4-10)11-7-8-16-9-12(11)13/h5-10H,1-4,15H2.
What are the key properties of 5-cyclopentyloxyisoquinolin-8-amine?
5-cyclopentyloxyisoquinolin-8-amine has a molecular weight of 228.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxyisoquinolin-8-amine is sourced from PubChem (CID 43448847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).