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

C15H19N3O — CID 106540512

IUPACN-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(NCCNC3CC3)nccc2c1
InChIInChI=1S/C15H19N3O/c1-19-13-4-5-14-11(10-13)6-7-17-15(14)18-9-8-16-12-2-3-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyAPLJHCXLEFKSPG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds6

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

N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine (PubChem CID 106540512) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
PubChem CID106540512
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(NCCNC3CC3)nccc2c1
InChIInChI=1S/C15H19N3O/c1-19-13-4-5-14-11(10-13)6-7-17-15(14)18-9-8-16-12-2-3-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyAPLJHCXLEFKSPG-UHFFFAOYSA-N
XLogP2.41
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
N-[2-(2-chloroethoxy)ethyl]-6-methoxyisoquinolin-1-amine
CID 106542673
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
CID 106543382
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106538839
2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540980
N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115206803

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine (CID 106540512) is N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine is COc1ccc2c(NCCNC3CC3)nccc2c1.
What is the InChIKey of N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
The InChIKey is APLJHCXLEFKSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-13-4-5-14-11(10-13)6-7-17-15(14)18-9-8-16-12-2-3-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 106540512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).