N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

C13H26F3NO — CID 55083389

IUPACN-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(CCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C13H26F3NO/c1-5-6-11(9-17-12(2,3)4)7-8-18-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyVKMATGTYRGRNCH-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds8

About N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 55083389) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID55083389
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC NameN-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(CCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C13H26F3NO/c1-5-6-11(9-17-12(2,3)4)7-8-18-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyVKMATGTYRGRNCH-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 55083389) is N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is CCCC(CCOCC(F)(F)F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is VKMATGTYRGRNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-5-6-11(9-17-12(2,3)4)7-8-18-10-13(14,15)16/h11,17H,5-10H2,1-4H3.
What are the key properties of N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 55083389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).