5-cycloheptyloxy-3-methylisoquinolin-8-amine

C17H22N2O — CID 102713835

IUPAC5-cycloheptyloxy-3-methylisoquinolin-8-amine
SMILESCc1cc2c(OC3CCCCCC3)ccc(N)c2cn1
InChIInChI=1S/C17H22N2O/c1-12-10-14-15(11-19-12)16(18)8-9-17(14)20-13-6-4-2-3-5-7-13/h8-11,13H,2-7,18H2,1H3
InChIKeyUOUUSBTYUZDTGD-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.23
Rot. Bonds2

About 5-cycloheptyloxy-3-methylisoquinolin-8-amine

5-cycloheptyloxy-3-methylisoquinolin-8-amine (PubChem CID 102713835) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-cycloheptyloxy-3-methylisoquinolin-8-amine.

Molecular Properties

Compound Name5-cycloheptyloxy-3-methylisoquinolin-8-amine
PubChem CID102713835
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-cycloheptyloxy-3-methylisoquinolin-8-amine
SMILESCc1cc2c(OC3CCCCCC3)ccc(N)c2cn1
InChIInChI=1S/C17H22N2O/c1-12-10-14-15(11-19-12)16(18)8-9-17(14)20-13-6-4-2-3-5-7-13/h8-11,13H,2-7,18H2,1H3
InChIKeyUOUUSBTYUZDTGD-UHFFFAOYSA-N
XLogP4.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine
CID 102713907
3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine
CID 102713792
5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine
CID 102712921
5-cyclohexyloxyisoquinolin-8-amine
CID 43382765
5-cyclopentyloxyisoquinolin-8-amine
CID 43448847
3-methyl-5-(oxan-2-ylmethoxy)isoquinolin-8-amine
CID 102713794
3-methyl-5-propan-2-yloxyisoquinolin-8-amine
CID 102713795
5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine
CID 102713811
5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine
CID 102713614
5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine
CID 102713763
[1-(8-amino-3-methylisoquinolin-5-yl)azepan-2-yl]methanol
CID 102713697
5-(4-bromo-2-fluorophenoxy)-3-methylisoquinolin-8-amine
CID 102713808

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyloxy-3-methylisoquinolin-8-amine?
The IUPAC name of 5-cycloheptyloxy-3-methylisoquinolin-8-amine (CID 102713835) is 5-cycloheptyloxy-3-methylisoquinolin-8-amine.
What is the SMILES notation for 5-cycloheptyloxy-3-methylisoquinolin-8-amine?
The canonical SMILES for 5-cycloheptyloxy-3-methylisoquinolin-8-amine is Cc1cc2c(OC3CCCCCC3)ccc(N)c2cn1.
What is the InChIKey of 5-cycloheptyloxy-3-methylisoquinolin-8-amine?
The InChIKey is UOUUSBTYUZDTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-10-14-15(11-19-12)16(18)8-9-17(14)20-13-6-4-2-3-5-7-13/h8-11,13H,2-7,18H2,1H3.
What are the key properties of 5-cycloheptyloxy-3-methylisoquinolin-8-amine?
5-cycloheptyloxy-3-methylisoquinolin-8-amine has a molecular weight of 270.38 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyloxy-3-methylisoquinolin-8-amine is sourced from PubChem (CID 102713835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).