N-cyclopentyl-5-methoxyisoquinolin-1-amine

C15H18N2O — CID 106537183

IUPACN-cyclopentyl-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC3CCCC3)nccc12
InChIInChI=1S/C15H18N2O/c1-18-14-8-4-7-13-12(14)9-10-16-15(13)17-11-5-2-3-6-11/h4,7-11H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyGXIUUKXZZJDSHX-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.60
Rot. Bonds3

About N-cyclopentyl-5-methoxyisoquinolin-1-amine

N-cyclopentyl-5-methoxyisoquinolin-1-amine (PubChem CID 106537183) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-cyclopentyl-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-methoxyisoquinolin-1-amine
PubChem CID106537183
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-cyclopentyl-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC3CCCC3)nccc12
InChIInChI=1S/C15H18N2O/c1-18-14-8-4-7-13-12(14)9-10-16-15(13)17-11-5-2-3-6-11/h4,7-11H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyGXIUUKXZZJDSHX-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
CID 106538566
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
CID 106538942
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
CID 106538850
5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
CID 106538817
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537339
N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106128982
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-methoxyisoquinolin-1-amine
CID 167801144
4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
CID 106536285

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-cyclopentyl-5-methoxyisoquinolin-1-amine (CID 106537183) is N-cyclopentyl-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-cyclopentyl-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-cyclopentyl-5-methoxyisoquinolin-1-amine is COc1cccc2c(NC3CCCC3)nccc12.
What is the InChIKey of N-cyclopentyl-5-methoxyisoquinolin-1-amine?
The InChIKey is GXIUUKXZZJDSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-14-8-4-7-13-12(14)9-10-16-15(13)17-11-5-2-3-6-11/h4,7-11H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-5-methoxyisoquinolin-1-amine?
N-cyclopentyl-5-methoxyisoquinolin-1-amine has a molecular weight of 242.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106537183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).