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

C14H19N3O2 — CID 106540624

IUPAC1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
SMILESCOc1cc2ccnc(NCC(C)N)c2cc1OC
InChIInChI=1S/C14H19N3O2/c1-9(15)8-17-14-11-7-13(19-3)12(18-2)6-10(11)4-5-16-14/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyTYSRVELFSKPSCC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.01
Rot. Bonds5

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

1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine (PubChem CID 106540624) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
PubChem CID106540624
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
SMILESCOc1cc2ccnc(NCC(C)N)c2cc1OC
InChIInChI=1S/C14H19N3O2/c1-9(15)8-17-14-11-7-13(19-3)12(18-2)6-10(11)4-5-16-14/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyTYSRVELFSKPSCC-UHFFFAOYSA-N
XLogP2.01
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine
CID 106543554
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
2-[(6,7-dimethoxyisoquinolin-1-yl)amino]ethylurea
CID 106539333
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]-3-methylbutan-1-ol
CID 106539049
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol
CID 106539656
1-N-(6-methoxyisoquinolin-1-yl)-3-methylbutane-1,2-diamine
CID 106540710

Frequently Asked Questions

What is the IUPAC name of 1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine (CID 106540624) is 1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine is COc1cc2ccnc(NCC(C)N)c2cc1OC.
What is the InChIKey of 1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine?
The InChIKey is TYSRVELFSKPSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(15)8-17-14-11-7-13(19-3)12(18-2)6-10(11)4-5-16-14/h4-7,9H,8,15H2,1-3H3,(H,16,17).
What are the key properties of 1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine?
1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine has a molecular weight of 261.32 g/mol, XLogP of 2.01, 5 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)propane-1,2-diamine is sourced from PubChem (CID 106540624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).