3-tert-butyl-8-propan-2-ylquinolin-2-amine

C16H22N2 — CID 63382273

IUPAC3-tert-butyl-8-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cccc2cc(C(C)(C)C)c(N)nc12
InChIInChI=1S/C16H22N2/c1-10(2)12-8-6-7-11-9-13(16(3,4)5)15(17)18-14(11)12/h6-10H,1-5H3,(H2,17,18)
InChIKeyNJIBQVOKNAWEOF-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.24
Rot. Bonds1

About 3-tert-butyl-8-propan-2-ylquinolin-2-amine

3-tert-butyl-8-propan-2-ylquinolin-2-amine (PubChem CID 63382273) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-tert-butyl-8-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-8-propan-2-ylquinolin-2-amine
PubChem CID63382273
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-tert-butyl-8-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cccc2cc(C(C)(C)C)c(N)nc12
InChIInChI=1S/C16H22N2/c1-10(2)12-8-6-7-11-9-13(16(3,4)5)15(17)18-14(11)12/h6-10H,1-5H3,(H2,17,18)
InChIKeyNJIBQVOKNAWEOF-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-propan-2-ylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-8-propan-2-ylquinolin-2-amine (CID 63382273) is 3-tert-butyl-8-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-8-propan-2-ylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-8-propan-2-ylquinolin-2-amine is CC(C)c1cccc2cc(C(C)(C)C)c(N)nc12.
What is the InChIKey of 3-tert-butyl-8-propan-2-ylquinolin-2-amine?
The InChIKey is NJIBQVOKNAWEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10(2)12-8-6-7-11-9-13(16(3,4)5)15(17)18-14(11)12/h6-10H,1-5H3,(H2,17,18).
What are the key properties of 3-tert-butyl-8-propan-2-ylquinolin-2-amine?
3-tert-butyl-8-propan-2-ylquinolin-2-amine has a molecular weight of 242.37 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63382273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).