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

C16H21N3O — CID 106542318

IUPACN-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc2c(N(C)CCNC3CC3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-19(10-9-17-13-3-4-13)16-15-6-5-14(20-2)11-12(15)7-8-18-16/h5-8,11,13,17H,3-4,9-10H2,1-2H3
InChIKeyYYSFRNMJWOLOSB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds6

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

N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine (PubChem CID 106542318) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
PubChem CID106542318
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc2c(N(C)CCNC3CC3)nccc2c1
InChIInChI=1S/C16H21N3O/c1-19(10-9-17-13-3-4-13)16-15-6-5-14(20-2)11-12(15)7-8-18-16/h5-8,11,13,17H,3-4,9-10H2,1-2H3
InChIKeyYYSFRNMJWOLOSB-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-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

N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
CID 106536904
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
CID 106541598
N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 106542308
N-(2-bromo-3-methoxypropyl)-6-methoxy-N-methylisoquinolin-1-amine
CID 106542944
N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62554132
3-[(6-methoxyisoquinolin-1-yl)-methylamino]-2-methylpropanoic acid
CID 106536063
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine
CID 107174267
N-(2-bromoethyl)-6-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542836

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine (CID 106542318) is N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine is COc1ccc2c(N(C)CCNC3CC3)nccc2c1.
What is the InChIKey of N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine?
The InChIKey is YYSFRNMJWOLOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(10-9-17-13-3-4-13)16-15-6-5-14(20-2)11-12(15)7-8-18-16/h5-8,11,13,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine has a molecular weight of 271.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 106542318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).