1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol

C15H21N3O — CID 106542281

IUPAC1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol
SMILESCCCCN(CCN)c1nccc2ccc(O)cc12
InChIInChI=1S/C15H21N3O/c1-2-3-9-18(10-7-16)15-14-11-13(19)5-4-12(14)6-8-17-15/h4-6,8,11,19H,2-3,7,9-10,16H2,1H3
InChIKeyLRTPBBHCCIVMFF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.51
Rot. Bonds6

About 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol

1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol (PubChem CID 106542281) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol
PubChem CID106542281
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol
SMILESCCCCN(CCN)c1nccc2ccc(O)cc12
InChIInChI=1S/C15H21N3O/c1-2-3-9-18(10-7-16)15-14-11-13(19)5-4-12(14)6-8-17-15/h4-6,8,11,19H,2-3,7,9-10,16H2,1H3
InChIKeyLRTPBBHCCIVMFF-UHFFFAOYSA-N
XLogP2.51
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-bromoethyl(butyl)amino]isoquinolin-7-ol
CID 106542881
1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
CID 106543352
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
3-[ethyl-(7-hydroxyisoquinolin-1-yl)amino]-N'-hydroxypropanimidamide
CID 106537040
1-[3-hydroxypropyl(methyl)amino]isoquinolin-7-ol
CID 114230704
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(pentan-3-yl)amino]isoquinolin-7-ol
CID 106542952
2-[butyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]ethanol
CID 106541427
3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one
CID 62940454
N-butyl-N,7-dimethylisoquinolin-1-amine
CID 142242673
1-(2,2-dimethylheptylamino)isoquinolin-7-ol
CID 106539127

Frequently Asked Questions

What is the IUPAC name of 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol?
The IUPAC name of 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol (CID 106542281) is 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol.
What is the SMILES notation for 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol?
The canonical SMILES for 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol is CCCCN(CCN)c1nccc2ccc(O)cc12.
What is the InChIKey of 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol?
The InChIKey is LRTPBBHCCIVMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-9-18(10-7-16)15-14-11-13(19)5-4-12(14)6-8-17-15/h4-6,8,11,19H,2-3,7,9-10,16H2,1H3.
What are the key properties of 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol?
1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol has a molecular weight of 259.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol is sourced from PubChem (CID 106542281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).