1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine

C15H19N3O — CID 106540945

IUPAC1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOc1cccc2c(NCC(N)C3CC3)nccc12
InChIInChI=1S/C15H19N3O/c1-19-14-4-2-3-12-11(14)7-8-17-15(12)18-9-13(16)10-5-6-10/h2-4,7-8,10,13H,5-6,9,16H2,1H3,(H,17,18)
InChIKeyMSVUFANUOIYRME-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds5

About 1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine

1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine (PubChem CID 106540945) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine
PubChem CID106540945
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOc1cccc2c(NCC(N)C3CC3)nccc12
InChIInChI=1S/C15H19N3O/c1-19-14-4-2-3-12-11(14)7-8-17-15(12)18-9-13(16)10-5-6-10/h2-4,7-8,10,13H,5-6,9,16H2,1H3,(H,17,18)
InChIKeyMSVUFANUOIYRME-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-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
1-N-(5-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159175
N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106128982
5-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539648
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536125
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194
N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539065
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine (CID 106540945) is 1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine is COc1cccc2c(NCC(N)C3CC3)nccc12.
What is the InChIKey of 1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The InChIKey is MSVUFANUOIYRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-14-4-2-3-12-11(14)7-8-17-15(12)18-9-13(16)10-5-6-10/h2-4,7-8,10,13H,5-6,9,16H2,1H3,(H,17,18).
What are the key properties of 1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
1-cyclopropyl-N'-(5-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'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 106540945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).