7-tert-butyl-N-propan-2-ylquinolin-2-amine

C16H22N2 — CID 155185218

IUPAC7-tert-butyl-N-propan-2-ylquinolin-2-amine
SMILESCC(C)Nc1ccc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C16H22N2/c1-11(2)17-15-9-7-12-6-8-13(16(3,4)5)10-14(12)18-15/h6-11H,1-5H3,(H,17,18)
InChIKeyLLCAXZYWPYJRES-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.35
Rot. Bonds2

About 7-tert-butyl-N-propan-2-ylquinolin-2-amine

7-tert-butyl-N-propan-2-ylquinolin-2-amine (PubChem CID 155185218) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 7-tert-butyl-N-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name7-tert-butyl-N-propan-2-ylquinolin-2-amine
PubChem CID155185218
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name7-tert-butyl-N-propan-2-ylquinolin-2-amine
SMILESCC(C)Nc1ccc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C16H22N2/c1-11(2)17-15-9-7-12-6-8-13(16(3,4)5)10-14(12)18-15/h6-11H,1-5H3,(H,17,18)
InChIKeyLLCAXZYWPYJRES-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-propan-2-ylquinolin-2-amine?
The IUPAC name of 7-tert-butyl-N-propan-2-ylquinolin-2-amine (CID 155185218) is 7-tert-butyl-N-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 7-tert-butyl-N-propan-2-ylquinolin-2-amine?
The canonical SMILES for 7-tert-butyl-N-propan-2-ylquinolin-2-amine is CC(C)Nc1ccc2ccc(C(C)(C)C)cc2n1.
What is the InChIKey of 7-tert-butyl-N-propan-2-ylquinolin-2-amine?
The InChIKey is LLCAXZYWPYJRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11(2)17-15-9-7-12-6-8-13(16(3,4)5)10-14(12)18-15/h6-11H,1-5H3,(H,17,18).
What are the key properties of 7-tert-butyl-N-propan-2-ylquinolin-2-amine?
7-tert-butyl-N-propan-2-ylquinolin-2-amine has a molecular weight of 242.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 155185218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).