2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine

C22H32N2O — CID 70497244

IUPAC2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2n1
InChIInChI=1S/C22H32N2O/c1-21(2,3)16-7-9-17(10-8-16)25-18-11-12-19-15(14-18)6-13-20(24-19)22(4,5)23/h6,11-14,16-17H,7-10,23H2,1-5H3
InChIKeyDRGUEAMXCURQEV-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.41
Rot. Bonds3

About 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine

2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine (PubChem CID 70497244) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine
PubChem CID70497244
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2n1
InChIInChI=1S/C22H32N2O/c1-21(2,3)16-7-9-17(10-8-16)25-18-11-12-19-15(14-18)6-13-20(24-19)22(4,5)23/h6,11-14,16-17H,7-10,23H2,1-5H3
InChIKeyDRGUEAMXCURQEV-UHFFFAOYSA-N
XLogP5.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine?
The IUPAC name of 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine (CID 70497244) is 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine.
What is the SMILES notation for 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine?
The canonical SMILES for 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine is CC(C)(N)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2n1.
What is the InChIKey of 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine?
The InChIKey is DRGUEAMXCURQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-21(2,3)16-7-9-17(10-8-16)25-18-11-12-19-15(14-18)6-13-20(24-19)22(4,5)23/h6,11-14,16-17H,7-10,23H2,1-5H3.
What are the key properties of 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine?
2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine has a molecular weight of 340.51 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine is sourced from PubChem (CID 70497244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).