3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine

C17H24N2 — CID 63382081

IUPAC3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine
SMILESCNc1nc2ccc(C(C)C)cc2cc1C(C)(C)C
InChIInChI=1S/C17H24N2/c1-11(2)12-7-8-15-13(9-12)10-14(17(3,4)5)16(18-6)19-15/h7-11H,1-6H3,(H,18,19)
InChIKeyFMSGVJRKWNOCNO-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.70
Rot. Bonds2

About 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine

3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine (PubChem CID 63382081) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine
PubChem CID63382081
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine
SMILESCNc1nc2ccc(C(C)C)cc2cc1C(C)(C)C
InChIInChI=1S/C17H24N2/c1-11(2)12-7-8-15-13(9-12)10-14(17(3,4)5)16(18-6)19-15/h7-11H,1-6H3,(H,18,19)
InChIKeyFMSGVJRKWNOCNO-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine (CID 63382081) is 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine is CNc1nc2ccc(C(C)C)cc2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine?
The InChIKey is FMSGVJRKWNOCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-11(2)12-7-8-15-13(9-12)10-14(17(3,4)5)16(18-6)19-15/h7-11H,1-6H3,(H,18,19).
What are the key properties of 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine?
3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine has a molecular weight of 256.39 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63382081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).