2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine

C20H30N2 — CID 153459100

IUPAC2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine
SMILESCC(C)Nc1cccc2c(C(C)(C)C)cc(C(C)(C)C)nc12
InChIInChI=1S/C20H30N2/c1-13(2)21-16-11-9-10-14-15(19(3,4)5)12-17(20(6,7)8)22-18(14)16/h9-13,21H,1-8H3
InChIKeySFEYVNZIHBVHOS-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.65
Rot. Bonds2

About 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine

2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine (PubChem CID 153459100) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine.

Molecular Properties

Compound Name2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine
PubChem CID153459100
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine
SMILESCC(C)Nc1cccc2c(C(C)(C)C)cc(C(C)(C)C)nc12
InChIInChI=1S/C20H30N2/c1-13(2)21-16-11-9-10-14-15(19(3,4)5)12-17(20(6,7)8)22-18(14)16/h9-13,21H,1-8H3
InChIKeySFEYVNZIHBVHOS-UHFFFAOYSA-N
XLogP5.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine?
The IUPAC name of 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine (CID 153459100) is 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine.
What is the SMILES notation for 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine?
The canonical SMILES for 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine is CC(C)Nc1cccc2c(C(C)(C)C)cc(C(C)(C)C)nc12.
What is the InChIKey of 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine?
The InChIKey is SFEYVNZIHBVHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-13(2)21-16-11-9-10-14-15(19(3,4)5)12-17(20(6,7)8)22-18(14)16/h9-13,21H,1-8H3.
What are the key properties of 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine?
2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine has a molecular weight of 298.47 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine is sourced from PubChem (CID 153459100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).