1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine

C16H23N3O2 — CID 106543554

IUPAC1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine
SMILESCCCC(N)CNc1nccc2cc(OC)c(OC)cc12
InChIInChI=1S/C16H23N3O2/c1-4-5-12(17)10-19-16-13-9-15(21-3)14(20-2)8-11(13)6-7-18-16/h6-9,12H,4-5,10,17H2,1-3H3,(H,18,19)
InChIKeyUWEMRSSISCXVRS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.79
Rot. Bonds7

About 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine

1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine (PubChem CID 106543554) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine
PubChem CID106543554
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine
SMILESCCCC(N)CNc1nccc2cc(OC)c(OC)cc12
InChIInChI=1S/C16H23N3O2/c1-4-5-12(17)10-19-16-13-9-15(21-3)14(20-2)8-11(13)6-7-18-16/h6-9,12H,4-5,10,17H2,1-3H3,(H,18,19)
InChIKeyUWEMRSSISCXVRS-UHFFFAOYSA-N
XLogP2.79
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540624
N-(6,7-dimethoxyisoquinolin-1-yl)-2-methylbutane-1,4-diamine
CID 106543452
N-(2-chlorobutyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106543113
1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol
CID 106539720
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-2-ol
CID 106539852
N'-(6,7-dimethoxyisoquinolin-1-yl)-2,2-difluoropropane-1,3-diamine
CID 106541100
2-[(6,7-dimethoxyisoquinolin-1-yl)amino]ethylurea
CID 106539333
1-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)butane-1,2-diamine
CID 106540632
1-N-(6-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159174
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619

Frequently Asked Questions

What is the IUPAC name of 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine?
The IUPAC name of 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine (CID 106543554) is 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine is CCCC(N)CNc1nccc2cc(OC)c(OC)cc12.
What is the InChIKey of 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine?
The InChIKey is UWEMRSSISCXVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-12(17)10-19-16-13-9-15(21-3)14(20-2)8-11(13)6-7-18-16/h6-9,12H,4-5,10,17H2,1-3H3,(H,18,19).
What are the key properties of 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine?
1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine has a molecular weight of 289.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine is sourced from PubChem (CID 106543554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).