5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine

C16H28N2 — CID 107874830

IUPAC5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
SMILESCC(CNc1ccc(C(C)(C)C)cn1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-12(15(2,3)4)10-17-14-9-8-13(11-18-14)16(5,6)7/h8-9,11-12H,10H2,1-7H3,(H,17,18)
InChIKeyYTXVJLYMXQAURV-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.47
Rot. Bonds3

About 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine

5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine (PubChem CID 107874830) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
PubChem CID107874830
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
SMILESCC(CNc1ccc(C(C)(C)C)cn1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-12(15(2,3)4)10-17-14-9-8-13(11-18-14)16(5,6)7/h8-9,11-12H,10H2,1-7H3,(H,17,18)
InChIKeyYTXVJLYMXQAURV-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine (CID 107874830) is 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine is CC(CNc1ccc(C(C)(C)C)cn1)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
The InChIKey is YTXVJLYMXQAURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(15(2,3)4)10-17-14-9-8-13(11-18-14)16(5,6)7/h8-9,11-12H,10H2,1-7H3,(H,17,18).
What are the key properties of 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine has a molecular weight of 248.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine is sourced from PubChem (CID 107874830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).