1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol

C18H24N2O — CID 65123185

IUPAC1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCc2cccc3cnccc23)CCCCCC1
InChIInChI=1S/C18H24N2O/c21-18(9-3-1-2-4-10-18)14-20-13-16-7-5-6-15-12-19-11-8-17(15)16/h5-8,11-12,20-21H,1-4,9-10,13-14H2
InChIKeyMGQHXJQKLVQUDO-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.41
Rot. Bonds4

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

1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol (PubChem CID 65123185) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
PubChem CID65123185
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCc2cccc3cnccc23)CCCCCC1
InChIInChI=1S/C18H24N2O/c21-18(9-3-1-2-4-10-18)14-20-13-16-7-5-6-15-12-19-11-8-17(15)16/h5-8,11-12,20-21H,1-4,9-10,13-14H2
InChIKeyMGQHXJQKLVQUDO-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115558
1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 63851922
1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704943
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381730
1-[(1H-indol-7-ylmethylamino)methyl]cyclopentan-1-ol
CID 113234393
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
CID 62823894
1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866382
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838

Frequently Asked Questions

What is the IUPAC name of 1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol (CID 65123185) is 1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol is OC1(CNCc2cccc3cnccc23)CCCCCC1.
What is the InChIKey of 1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol?
The InChIKey is MGQHXJQKLVQUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18(9-3-1-2-4-10-18)14-20-13-16-7-5-6-15-12-19-11-8-17(15)16/h5-8,11-12,20-21H,1-4,9-10,13-14H2.
What are the key properties of 1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol?
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.41, 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]cycloheptan-1-ol is sourced from PubChem (CID 65123185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).