1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine

C15H19N3O — CID 106540726

IUPAC1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(NC(CN)C3CC3)nccc2c1
InChIInChI=1S/C15H19N3O/c1-19-12-4-5-13-11(8-12)6-7-17-15(13)18-14(9-16)10-2-3-10/h4-8,10,14H,2-3,9,16H2,1H3,(H,17,18)
InChIKeyQHCJYXYLXDACAS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds5

About 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine

1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine (PubChem CID 106540726) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
PubChem CID106540726
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(NC(CN)C3CC3)nccc2c1
InChIInChI=1S/C15H19N3O/c1-19-12-4-5-13-11(8-12)6-7-17-15(13)18-14(9-16)10-2-3-10/h4-8,10,14H,2-3,9,16H2,1H3,(H,17,18)
InChIKeyQHCJYXYLXDACAS-UHFFFAOYSA-N
XLogP2.39
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
CID 106537555
N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
6-methoxy-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106537504
2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540980
6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
CID 106538043
2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 106539278
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
N-(4-bromopentan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543031
N-(4-chloro-3-methylbutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543101
N-(4-chlorobutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543022
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine (CID 106540726) is 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine is COc1ccc2c(NC(CN)C3CC3)nccc2c1.
What is the InChIKey of 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The InChIKey is QHCJYXYLXDACAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-12-4-5-13-11(8-12)6-7-17-15(13)18-14(9-16)10-2-3-10/h4-8,10,14H,2-3,9,16H2,1H3,(H,17,18).
What are the key properties of 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 106540726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).