N-cyclopentyl-6-methoxyisoquinolin-1-amine

C15H18N2O — CID 106537185

IUPACN-cyclopentyl-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(NC3CCCC3)nccc2c1
InChIInChI=1S/C15H18N2O/c1-18-13-6-7-14-11(10-13)8-9-16-15(14)17-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17)
InChIKeyNWESGDQXLQKFML-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.60
Rot. Bonds3

About N-cyclopentyl-6-methoxyisoquinolin-1-amine

N-cyclopentyl-6-methoxyisoquinolin-1-amine (PubChem CID 106537185) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-cyclopentyl-6-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-methoxyisoquinolin-1-amine
PubChem CID106537185
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-cyclopentyl-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(NC3CCCC3)nccc2c1
InChIInChI=1S/C15H18N2O/c1-18-13-6-7-14-11(10-13)8-9-16-15(14)17-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17)
InChIKeyNWESGDQXLQKFML-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

4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
CID 106538375
6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106540034
4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one
CID 106191834
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
CID 106543382
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106538839
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-methoxyisoquinolin-1-amine
CID 106538963
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methoxyisoquinolin-1-amine?
The IUPAC name of N-cyclopentyl-6-methoxyisoquinolin-1-amine (CID 106537185) is N-cyclopentyl-6-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-cyclopentyl-6-methoxyisoquinolin-1-amine?
The canonical SMILES for N-cyclopentyl-6-methoxyisoquinolin-1-amine is COc1ccc2c(NC3CCCC3)nccc2c1.
What is the InChIKey of N-cyclopentyl-6-methoxyisoquinolin-1-amine?
The InChIKey is NWESGDQXLQKFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-13-6-7-14-11(10-13)8-9-16-15(14)17-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-6-methoxyisoquinolin-1-amine?
N-cyclopentyl-6-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-6-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106537185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).