3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine

C15H21N3O — CID 106536587

IUPAC3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
SMILESCOc1ccc2ccnc(N(C)C(C)CCN)c2c1
InChIInChI=1S/C15H21N3O/c1-11(6-8-16)18(2)15-14-10-13(19-3)5-4-12(14)7-9-17-15/h4-5,7,9-11H,6,8,16H2,1-3H3
InChIKeyJLOQBANQWSJVLI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.42
Rot. Bonds5

About 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine

3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine (PubChem CID 106536587) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
PubChem CID106536587
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
SMILESCOc1ccc2ccnc(N(C)C(C)CCN)c2c1
InChIInChI=1S/C15H21N3O/c1-11(6-8-16)18(2)15-14-10-13(19-3)5-4-12(14)7-9-17-15/h4-5,7,9-11H,6,8,16H2,1-3H3
InChIKeyJLOQBANQWSJVLI-UHFFFAOYSA-N
XLogP2.42
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
2-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoic acid
CID 106536110
1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 106541030
N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 106542308
N'-hydroxy-3-[(6-methoxyisoquinolin-1-yl)-methylamino]butanimidamide
CID 106537052
3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 112510147
3-(6-methoxyisoquinolin-1-yl)butan-1-amine
CID 116995375
N-(3-bromopropyl)-7-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542939
4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106543464
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
CID 106543443
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
1-ethyl-7-methoxyisoquinoline
CID 119092688

Frequently Asked Questions

What is the IUPAC name of 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine (CID 106536587) is 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine is COc1ccc2ccnc(N(C)C(C)CCN)c2c1.
What is the InChIKey of 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine?
The InChIKey is JLOQBANQWSJVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(6-8-16)18(2)15-14-10-13(19-3)5-4-12(14)7-9-17-15/h4-5,7,9-11H,6,8,16H2,1-3H3.
What are the key properties of 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine?
3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine has a molecular weight of 259.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 106536587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).