1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol

C14H17N3O — CID 106543493

IUPAC1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
SMILESNCC1(CNc2nccc3ccc(O)cc23)CC1
InChIInChI=1S/C14H17N3O/c15-8-14(4-5-14)9-17-13-12-7-11(18)2-1-10(12)3-6-16-13/h1-3,6-7,18H,4-5,8-9,15H2,(H,16,17)
InChIKeyPSIHIJRUAOVTST-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.09
Rot. Bonds4

About 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol

1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol (PubChem CID 106543493) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
PubChem CID106543493
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
SMILESNCC1(CNc2nccc3ccc(O)cc23)CC1
InChIInChI=1S/C14H17N3O/c15-8-14(4-5-14)9-17-13-12-7-11(18)2-1-10(12)3-6-16-13/h1-3,6-7,18H,4-5,8-9,15H2,(H,16,17)
InChIKeyPSIHIJRUAOVTST-UHFFFAOYSA-N
XLogP2.09
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine
CID 106543616
1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543374
1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
CID 106540779
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
CID 115456994
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]acetate
CID 106537658
1-(2,2-dimethylhydrazinyl)isoquinolin-7-ol
CID 106539287
1-[(3-bromothiophen-2-yl)methylamino]isoquinolin-7-ol
CID 106539130
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
2-[(7-hydroxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 106538911
1-[2-(cyclopenten-1-yl)ethylamino]isoquinolin-7-ol
CID 106177647
N-[[1-(chloromethyl)cyclopropyl]methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543011

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol?
The IUPAC name of 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol (CID 106543493) is 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol is NCC1(CNc2nccc3ccc(O)cc23)CC1.
What is the InChIKey of 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol?
The InChIKey is PSIHIJRUAOVTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-8-14(4-5-14)9-17-13-12-7-11(18)2-1-10(12)3-6-16-13/h1-3,6-7,18H,4-5,8-9,15H2,(H,16,17).
What are the key properties of 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol?
1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol has a molecular weight of 243.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol is sourced from PubChem (CID 106543493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).