1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol

C18H24N2O — CID 65115558

IUPAC1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2cccc3cnccc23)CC1
InChIInChI=1S/C18H24N2O/c1-14-5-8-18(21,9-6-14)13-20-12-16-4-2-3-15-11-19-10-7-17(15)16/h2-4,7,10-11,14,20-21H,5-6,8-9,12-13H2,1H3
InChIKeyQGURYTMZWATERP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.27
Rot. Bonds4

About 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol

1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115558) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID65115558
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2cccc3cnccc23)CC1
InChIInChI=1S/C18H24N2O/c1-14-5-8-18(21,9-6-14)13-20-12-16-4-2-3-15-11-19-10-7-17(15)16/h2-4,7,10-11,14,20-21H,5-6,8-9,12-13H2,1H3
InChIKeyQGURYTMZWATERP-UHFFFAOYSA-N
XLogP3.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115525
1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381730
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 55118761
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704943
4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65116294
1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
CID 65084645
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
4-methyl-1-[[(1-methylindol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107235815

Frequently Asked Questions

What is the IUPAC name of 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol (CID 65115558) is 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCc2cccc3cnccc23)CC1.
What is the InChIKey of 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is QGURYTMZWATERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-5-8-18(21,9-6-14)13-20-12-16-4-2-3-15-11-19-10-7-17(15)16/h2-4,7,10-11,14,20-21H,5-6,8-9,12-13H2,1H3.
What are the key properties of 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).