[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol

C17H22N2O — CID 107400671

IUPAC[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol
SMILESCCN(CC1CCC1)c1nc(CO)cc2ccccc12
InChIInChI=1S/C17H22N2O/c1-2-19(11-13-6-5-7-13)17-16-9-4-3-8-14(16)10-15(12-20)18-17/h3-4,8-10,13,20H,2,5-7,11-12H2,1H3
InChIKeyJSQCKQWBHSMXRT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds5

About [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol

[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol (PubChem CID 107400671) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol
PubChem CID107400671
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol
SMILESCCN(CC1CCC1)c1nc(CO)cc2ccccc12
InChIInChI=1S/C17H22N2O/c1-2-19(11-13-6-5-7-13)17-16-9-4-3-8-14(16)10-15(12-20)18-17/h3-4,8-10,13,20H,2,5-7,11-12H2,1H3
InChIKeyJSQCKQWBHSMXRT-UHFFFAOYSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
CID 63938907
[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol
CID 61435603
1-[cyclobutylmethyl(ethyl)amino]isoquinoline-3-carboxylic acid
CID 107399143
[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol
CID 61255400
[6-[cyclobutylmethyl(ethyl)amino]-2-pyridinyl]methanol
CID 107400665
[1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol
CID 61256655
2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol
CID 61425106
3-[cyclobutyl-[3-(hydroxymethyl)isoquinolin-1-yl]amino]propan-1-ol
CID 102869258
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine
CID 107397272
N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine
CID 79719670
2-[[3-(hydroxymethyl)isoquinolin-1-yl]-methylamino]propan-1-ol
CID 104553842
(1-cyclobutyloxyisoquinolin-3-yl)methanol
CID 62141040

Frequently Asked Questions

What is the IUPAC name of [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol (CID 107400671) is [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol is CCN(CC1CCC1)c1nc(CO)cc2ccccc12.
What is the InChIKey of [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol?
The InChIKey is JSQCKQWBHSMXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-19(11-13-6-5-7-13)17-16-9-4-3-8-14(16)10-15(12-20)18-17/h3-4,8-10,13,20H,2,5-7,11-12H2,1H3.
What are the key properties of [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol?
[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol has a molecular weight of 270.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol is sourced from PubChem (CID 107400671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).