N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine

C15H18N2O — CID 106537555

IUPACN-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC(C)C3CC3)c2c1
InChIInChI=1S/C15H18N2O/c1-10(11-3-4-11)17-15-14-9-13(18-2)6-5-12(14)7-8-16-15/h5-11H,3-4H2,1-2H3,(H,16,17)
InChIKeyFGNFBWANAPNQJK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.45
Rot. Bonds4

About N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine

N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine (PubChem CID 106537555) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
PubChem CID106537555
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC(C)C3CC3)c2c1
InChIInChI=1S/C15H18N2O/c1-10(11-3-4-11)17-15-14-9-13(18-2)6-5-12(14)7-8-16-15/h5-11H,3-4H2,1-2H3,(H,16,17)
InChIKeyFGNFBWANAPNQJK-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
N-(5-chloropentan-2-yl)-7-methoxyisoquinolin-1-amine
CID 106542820
1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540726
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106543464
2-N-(7-methoxyisoquinolin-1-yl)-4-methylpentane-1,2-diamine
CID 106540646
N-(1-cyclopropylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537549
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine (CID 106537555) is N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine is COc1ccc2ccnc(NC(C)C3CC3)c2c1.
What is the InChIKey of N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine?
The InChIKey is FGNFBWANAPNQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(11-3-4-11)17-15-14-9-13(18-2)6-5-12(14)7-8-16-15/h5-11H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine?
N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine has a molecular weight of 242.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106537555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).