3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol

C17H22N2O — CID 103823537

IUPAC3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2cncc3ccccc23)C1
InChIInChI=1S/C17H22N2O/c20-16-6-3-4-13(8-16)9-18-11-15-12-19-10-14-5-1-2-7-17(14)15/h1-2,5,7,10,12-13,16,18,20H,3-4,6,8-9,11H2
InChIKeyCTJGBKBGNASJDQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.88
Rot. Bonds4

About 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol

3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 103823537) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID103823537
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2cncc3ccccc23)C1
InChIInChI=1S/C17H22N2O/c20-16-6-3-4-13(8-16)9-18-11-15-12-19-10-14-5-1-2-7-17(14)15/h1-2,5,7,10,12-13,16,18,20H,3-4,6,8-9,11H2
InChIKeyCTJGBKBGNASJDQ-UHFFFAOYSA-N
XLogP2.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748530
N-(isoquinolin-4-ylmethyl)-1-(oxan-4-yl)methanamine
CID 112702944
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103739382
3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147754
3-[[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 111467503
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol
CID 103270708
1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748426
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699790
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976

Frequently Asked Questions

What is the IUPAC name of 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol (CID 103823537) is 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCC(CNCc2cncc3ccccc23)C1.
What is the InChIKey of 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is CTJGBKBGNASJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-16-6-3-4-13(8-16)9-18-11-15-12-19-10-14-5-1-2-7-17(14)15/h1-2,5,7,10,12-13,16,18,20H,3-4,6,8-9,11H2.
What are the key properties of 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol?
3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 103823537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).