1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol

C16H23N3O — CID 106543352

IUPAC1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
SMILESCCC(CC)N(CCN)c1nccc2ccc(O)cc12
InChIInChI=1S/C16H23N3O/c1-3-13(4-2)19(10-8-17)16-15-11-14(20)6-5-12(15)7-9-18-16/h5-7,9,11,13,20H,3-4,8,10,17H2,1-2H3
InChIKeyUXXZEWLCXVVXHW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol

1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol (PubChem CID 106543352) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
PubChem CID106543352
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
SMILESCCC(CC)N(CCN)c1nccc2ccc(O)cc12
InChIInChI=1S/C16H23N3O/c1-3-13(4-2)19(10-8-17)16-15-11-14(20)6-5-12(15)7-9-18-16/h5-7,9,11,13,20H,3-4,8,10,17H2,1-2H3
InChIKeyUXXZEWLCXVVXHW-UHFFFAOYSA-N
XLogP2.89
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-bromoethyl(pentan-3-yl)amino]isoquinolin-7-ol
CID 106542952
1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol
CID 106542281
1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol
CID 106541399
1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol
CID 106543534
1-[2-bromoethyl(butyl)amino]isoquinolin-7-ol
CID 106542881
3-[ethyl-(7-hydroxyisoquinolin-1-yl)amino]-N'-hydroxypropanimidamide
CID 106537040
1-[3-hydroxypropyl(methyl)amino]isoquinolin-7-ol
CID 114230704
N'-hydroxy-3-[(7-hydroxyisoquinolin-1-yl)-methylamino]propanimidamide
CID 106537033
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
methyl 3-[(7-hydroxyisoquinolin-1-yl)-methylamino]-2-methylpropanoate
CID 106541967
N'-hydroxy-3-[(7-hydroxyisoquinolin-1-yl)-methylamino]-2-methylpropanimidamide
CID 106537045
3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
CID 63760807

Frequently Asked Questions

What is the IUPAC name of 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol?
The IUPAC name of 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol (CID 106543352) is 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol.
What is the SMILES notation for 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol?
The canonical SMILES for 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol is CCC(CC)N(CCN)c1nccc2ccc(O)cc12.
What is the InChIKey of 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol?
The InChIKey is UXXZEWLCXVVXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-13(4-2)19(10-8-17)16-15-11-14(20)6-5-12(15)7-9-18-16/h5-7,9,11,13,20H,3-4,8,10,17H2,1-2H3.
What are the key properties of 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol?
1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol has a molecular weight of 273.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol is sourced from PubChem (CID 106543352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).