5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine

C13H19F3N2 — CID 114011601

IUPAC5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCCCC(F)(F)F)nc1
InChIInChI=1S/C13H19F3N2/c1-12(2,3)10-5-6-11(18-9-10)17-8-4-7-13(14,15)16/h5-6,9H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyUVNZUZPKDBZBBZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.13
Rot. Bonds4

About 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine

5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine (PubChem CID 114011601) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
PubChem CID114011601
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCCCC(F)(F)F)nc1
InChIInChI=1S/C13H19F3N2/c1-12(2,3)10-5-6-11(18-9-10)17-8-4-7-13(14,15)16/h5-6,9H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyUVNZUZPKDBZBBZ-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
N-but-3-enyl-5-tert-butylpyridin-2-amine
CID 107874874
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
CID 115486588
N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
CID 107875193
5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine
CID 107874725
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine (CID 114011601) is 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine is CC(C)(C)c1ccc(NCCCC(F)(F)F)nc1.
What is the InChIKey of 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine?
The InChIKey is UVNZUZPKDBZBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-12(2,3)10-5-6-11(18-9-10)17-8-4-7-13(14,15)16/h5-6,9H,4,7-8H2,1-3H3,(H,17,18).
What are the key properties of 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine?
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine is sourced from PubChem (CID 114011601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).