N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one

C17H24N2O2 — CID 143626581

IUPACN,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one
SMILESCN(C)C1CCCCC1.O=c1[nH]ccc2cc(O)ccc12
InChIInChI=1S/C9H7NO2.C8H17N/c11-7-1-2-8-6(5-7)3-4-10-9(8)12;1-9(2)8-6-4-3-5-7-8/h1-5,11H,(H,10,12);8H,3-7H2,1-2H3
InChIKeyFUJLYSPMRJYIEQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.11
Rot. Bonds1

About N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one

N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one (PubChem CID 143626581) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one
PubChem CID143626581
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one
SMILESCN(C)C1CCCCC1.O=c1[nH]ccc2cc(O)ccc12
InChIInChI=1S/C9H7NO2.C8H17N/c11-7-1-2-8-6(5-7)3-4-10-9(8)12;1-9(2)8-6-4-3-5-7-8/h1-5,11H,(H,10,12);8H,3-7H2,1-2H3
InChIKeyFUJLYSPMRJYIEQ-UHFFFAOYSA-N
XLogP3.11
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine
CID 143626574
cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one
CID 143626578
6-amino-2H-isoquinolin-1-one;N-methylcyclohexanamine
CID 143705474
6-(1-cyclopentylethyl)-2H-isoquinolin-1-one
CID 146431995
N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
CID 152967795
6-(dimethylamino)-2H-isoquinolin-1-one
CID 57424142
6-cyclopropyl-2H-isoquinolin-1-one
CID 90054240
2-cyclohexyl-4-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)butanamide
CID 46185121
1-oxo-2H-isoquinoline-6-carboxylic acid
CID 58252554
ethane;6-methyl-2H-isoquinolin-1-one
CID 142940504
1-oxo-2H-isoquinoline-6-carboxamide
CID 22175306
6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 66941580

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one?
The IUPAC name of N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one (CID 143626581) is N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one.
What is the SMILES notation for N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one?
The canonical SMILES for N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one is CN(C)C1CCCCC1.O=c1[nH]ccc2cc(O)ccc12.
What is the InChIKey of N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one?
The InChIKey is FUJLYSPMRJYIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.C8H17N/c11-7-1-2-8-6(5-7)3-4-10-9(8)12;1-9(2)8-6-4-3-5-7-8/h1-5,11H,(H,10,12);8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one?
N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one has a molecular weight of 288.39 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one is sourced from PubChem (CID 143626581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).