5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine

C16H25F3N2 — CID 129145282

IUPAC5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine
SMILESCc1nc(NCC(C)(C)CC(F)(F)F)ccc1C(C)(C)C
InChIInChI=1S/C16H25F3N2/c1-11-12(14(2,3)4)7-8-13(21-11)20-10-15(5,6)9-16(17,18)19/h7-8H,9-10H2,1-6H3,(H,20,21)
InChIKeyADFJGBDSZNFCQQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.08
Rot. Bonds4

About 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine

5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine (PubChem CID 129145282) has the molecular formula C16H25F3N2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine
PubChem CID129145282
Molecular FormulaC16H25F3N2
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine
SMILESCc1nc(NCC(C)(C)CC(F)(F)F)ccc1C(C)(C)C
InChIInChI=1S/C16H25F3N2/c1-11-12(14(2,3)4)7-8-13(21-11)20-10-15(5,6)9-16(17,18)19/h7-8H,9-10H2,1-6H3,(H,20,21)
InChIKeyADFJGBDSZNFCQQ-UHFFFAOYSA-N
XLogP5.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine (CID 129145282) is 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine is Cc1nc(NCC(C)(C)CC(F)(F)F)ccc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine?
The InChIKey is ADFJGBDSZNFCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2/c1-11-12(14(2,3)4)7-8-13(21-11)20-10-15(5,6)9-16(17,18)19/h7-8H,9-10H2,1-6H3,(H,20,21).
What are the key properties of 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine?
5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)pyridin-2-amine is sourced from PubChem (CID 129145282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).