N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine

C16H22N2O2 — CID 106537879

IUPACN-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
SMILESCOc1cc2ccnc(NCC(C)(C)C)c2cc1OC
InChIInChI=1S/C16H22N2O2/c1-16(2,3)10-18-15-12-9-14(20-5)13(19-4)8-11(12)6-7-17-15/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyDTOJIFBZWYLNKA-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.71
Rot. Bonds4

About N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine

N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine (PubChem CID 106537879) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
PubChem CID106537879
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
SMILESCOc1cc2ccnc(NCC(C)(C)C)c2cc1OC
InChIInChI=1S/C16H22N2O2/c1-16(2,3)10-18-15-12-9-14(20-5)13(19-4)8-11(12)6-7-17-15/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyDTOJIFBZWYLNKA-UHFFFAOYSA-N
XLogP3.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6,7-dimethoxyisoquinolin-1-yl)-2,2-difluoropropane-1,3-diamine
CID 106541100
1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540624
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
N-(2-chlorobutyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106543113
1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol
CID 106539720
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-2-ol
CID 106539852
N-(6,7-dimethoxyisoquinolin-1-yl)-2-methylbutane-1,4-diamine
CID 106543452
1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine
CID 106543554
2-[(6,7-dimethoxyisoquinolin-1-yl)amino]ethylurea
CID 106539333
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619
2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
CID 116995177
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol
CID 106539656

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine (CID 106537879) is N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine is COc1cc2ccnc(NCC(C)(C)C)c2cc1OC.
What is the InChIKey of N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine?
The InChIKey is DTOJIFBZWYLNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)10-18-15-12-9-14(20-5)13(19-4)8-11(12)6-7-17-15/h6-9H,10H2,1-5H3,(H,17,18).
What are the key properties of N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine?
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine has a molecular weight of 274.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine is sourced from PubChem (CID 106537879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).