1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol

C15H19N3O — CID 106540779

IUPAC1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
SMILESNCC1CCCC1Nc1nccc2ccc(O)cc12
InChIInChI=1S/C15H19N3O/c16-9-11-2-1-3-14(11)18-15-13-8-12(19)5-4-10(13)6-7-17-15/h4-8,11,14,19H,1-3,9,16H2,(H,17,18)
InChIKeyBUPMKNUQMYDBOK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.48
Rot. Bonds3

About 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol

1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol (PubChem CID 106540779) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
PubChem CID106540779
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
SMILESNCC1CCCC1Nc1nccc2ccc(O)cc12
InChIInChI=1S/C15H19N3O/c16-9-11-2-1-3-14(11)18-15-13-8-12(19)5-4-10(13)6-7-17-15/h4-8,11,14,19H,1-3,9,16H2,(H,17,18)
InChIKeyBUPMKNUQMYDBOK-UHFFFAOYSA-N
XLogP2.48
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(hydroxymethyl)cyclohexyl]amino]isoquinolin-7-ol
CID 106362148
N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
CID 106540782
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
1-[(2-chlorocyclopentyl)methylamino]isoquinolin-7-ol
CID 106542779
1-(thian-3-ylamino)isoquinolin-7-ol
CID 106539790
1-[(1-oxothian-4-yl)amino]isoquinolin-7-ol
CID 106539617
1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol
CID 106540413
1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
CID 106543493
1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543374
1-(oxan-3-ylmethylamino)isoquinolin-7-ol
CID 106537797
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol?
The IUPAC name of 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol (CID 106540779) is 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol?
The canonical SMILES for 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol is NCC1CCCC1Nc1nccc2ccc(O)cc12.
What is the InChIKey of 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol?
The InChIKey is BUPMKNUQMYDBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-11-2-1-3-14(11)18-15-13-8-12(19)5-4-10(13)6-7-17-15/h4-8,11,14,19H,1-3,9,16H2,(H,17,18).
What are the key properties of 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol?
1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol has a molecular weight of 257.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol is sourced from PubChem (CID 106540779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).