2-butyl-5-tert-butyl-2H-pyridin-1-amine

C13H24N2 — CID 170118636

IUPAC2-butyl-5-tert-butyl-2H-pyridin-1-amine
SMILESCCCCC1C=CC(C(C)(C)C)=CN1N
InChIInChI=1S/C13H24N2/c1-5-6-7-12-9-8-11(10-15(12)14)13(2,3)4/h8-10,12H,5-7,14H2,1-4H3
InChIKeyCUUKKIFEEFJHIU-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.22
Rot. Bonds3

About 2-butyl-5-tert-butyl-2H-pyridin-1-amine

2-butyl-5-tert-butyl-2H-pyridin-1-amine (PubChem CID 170118636) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-butyl-5-tert-butyl-2H-pyridin-1-amine.

Molecular Properties

Compound Name2-butyl-5-tert-butyl-2H-pyridin-1-amine
PubChem CID170118636
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-butyl-5-tert-butyl-2H-pyridin-1-amine
SMILESCCCCC1C=CC(C(C)(C)C)=CN1N
InChIInChI=1S/C13H24N2/c1-5-6-7-12-9-8-11(10-15(12)14)13(2,3)4/h8-10,12H,5-7,14H2,1-4H3
InChIKeyCUUKKIFEEFJHIU-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-tert-butyl-2H-pyridin-1-amine?
The IUPAC name of 2-butyl-5-tert-butyl-2H-pyridin-1-amine (CID 170118636) is 2-butyl-5-tert-butyl-2H-pyridin-1-amine.
What is the SMILES notation for 2-butyl-5-tert-butyl-2H-pyridin-1-amine?
The canonical SMILES for 2-butyl-5-tert-butyl-2H-pyridin-1-amine is CCCCC1C=CC(C(C)(C)C)=CN1N.
What is the InChIKey of 2-butyl-5-tert-butyl-2H-pyridin-1-amine?
The InChIKey is CUUKKIFEEFJHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-6-7-12-9-8-11(10-15(12)14)13(2,3)4/h8-10,12H,5-7,14H2,1-4H3.
What are the key properties of 2-butyl-5-tert-butyl-2H-pyridin-1-amine?
2-butyl-5-tert-butyl-2H-pyridin-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-tert-butyl-2H-pyridin-1-amine is sourced from PubChem (CID 170118636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).