N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine

C15H21N3O2 — CID 106541048

IUPACN-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOCCNCCNc1nccc2ccc(OC)cc12
InChIInChI=1S/C15H21N3O2/c1-19-10-9-16-7-8-18-15-14-11-13(20-2)4-3-12(14)5-6-17-15/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyRNZKCLMTKSBKMW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.89
Rot. Bonds8

About N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine (PubChem CID 106541048) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
PubChem CID106541048
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOCCNCCNc1nccc2ccc(OC)cc12
InChIInChI=1S/C15H21N3O2/c1-19-10-9-16-7-8-18-15-14-11-13(20-2)4-3-12(14)5-6-17-15/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyRNZKCLMTKSBKMW-UHFFFAOYSA-N
XLogP1.89
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
CID 106541080
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
N-[3-(2-chloroethoxy)propyl]-7-methoxyisoquinolin-1-amine
CID 106306394
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine
CID 106418459
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 83029559

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine (CID 106541048) is N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine is COCCNCCNc1nccc2ccc(OC)cc12.
What is the InChIKey of N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The InChIKey is RNZKCLMTKSBKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-10-9-16-7-8-18-15-14-11-13(20-2)4-3-12(14)5-6-17-15/h3-6,11,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine has a molecular weight of 275.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 106541048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).