N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine

C15H21N3O — CID 106536904

IUPACN'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1nccc2cc(OC)ccc12
InChIInChI=1S/C15H21N3O/c1-16-8-4-10-18(2)15-14-6-5-13(19-3)11-12(14)7-9-17-15/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyOGBDEIKJWKSOAR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds6

About N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine

N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 106536904) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID106536904
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1nccc2cc(OC)ccc12
InChIInChI=1S/C15H21N3O/c1-16-8-4-10-18(2)15-14-6-5-13(19-3)11-12(14)7-9-17-15/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyOGBDEIKJWKSOAR-UHFFFAOYSA-N
XLogP2.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
CID 106541598
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
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
3-[(6-methoxyisoquinolin-1-yl)-methylamino]-2-methylpropanoic acid
CID 106536063
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
N-(2-bromoethyl)-6-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542836
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
N-(2-bromoethyl)-6-methoxy-N-(2-methoxyethyl)isoquinolin-1-amine
CID 106543060
2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 106539278
1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 106541030

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine (CID 106536904) is N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)c1nccc2cc(OC)ccc12.
What is the InChIKey of N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is OGBDEIKJWKSOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-8-4-10-18(2)15-14-6-5-13(19-3)11-12(14)7-9-17-15/h5-7,9,11,16H,4,8,10H2,1-3H3.
What are the key properties of N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine?
N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 259.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 106536904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).