6-cycloheptyloxyisoquinolin-5-amine

C16H20N2O — CID 106948663

IUPAC6-cycloheptyloxyisoquinolin-5-amine
SMILESNc1c(OC2CCCCCC2)ccc2cnccc12
InChIInChI=1S/C16H20N2O/c17-16-14-9-10-18-11-12(14)7-8-15(16)19-13-5-3-1-2-4-6-13/h7-11,13H,1-6,17H2
InChIKeyKQKWHTBTWKORAR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.92
Rot. Bonds2

About 6-cycloheptyloxyisoquinolin-5-amine

6-cycloheptyloxyisoquinolin-5-amine (PubChem CID 106948663) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-cycloheptyloxyisoquinolin-5-amine.

Molecular Properties

Compound Name6-cycloheptyloxyisoquinolin-5-amine
PubChem CID106948663
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-cycloheptyloxyisoquinolin-5-amine
SMILESNc1c(OC2CCCCCC2)ccc2cnccc12
InChIInChI=1S/C16H20N2O/c17-16-14-9-10-18-11-12(14)7-8-15(16)19-13-5-3-1-2-4-6-13/h7-11,13H,1-6,17H2
InChIKeyKQKWHTBTWKORAR-UHFFFAOYSA-N
XLogP3.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.92
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-cyclohexyloxyisoquinolin-8-amine
CID 43382765
5-cyclopentyloxyisoquinolin-8-amine
CID 43448847
6-(cyclopropylmethoxy)isoquinolin-5-amine
CID 106948623
6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine
CID 106947696
4-cyclohexyloxy-3-fluoroaniline
CID 19627258
4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
CID 162316544
3-cyclopentyloxy-4-fluoropyridine
CID 130057810
6-(2-methylpropoxy)isoquinolin-5-amine
CID 106948601
5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline
CID 70968627
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine
CID 106947950
4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
CID 160602494

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyloxyisoquinolin-5-amine?
The IUPAC name of 6-cycloheptyloxyisoquinolin-5-amine (CID 106948663) is 6-cycloheptyloxyisoquinolin-5-amine.
What is the SMILES notation for 6-cycloheptyloxyisoquinolin-5-amine?
The canonical SMILES for 6-cycloheptyloxyisoquinolin-5-amine is Nc1c(OC2CCCCCC2)ccc2cnccc12.
What is the InChIKey of 6-cycloheptyloxyisoquinolin-5-amine?
The InChIKey is KQKWHTBTWKORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-16-14-9-10-18-11-12(14)7-8-15(16)19-13-5-3-1-2-4-6-13/h7-11,13H,1-6,17H2.
What are the key properties of 6-cycloheptyloxyisoquinolin-5-amine?
6-cycloheptyloxyisoquinolin-5-amine has a molecular weight of 256.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyloxyisoquinolin-5-amine is sourced from PubChem (CID 106948663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).