N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

C14H28F3NO — CID 62530500

IUPACN-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCC(C)CC(CCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)8-12(9-18-13(3,4)5)6-7-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyYAYDXWKCEIIYBV-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.01
Rot. Bonds8

About N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 62530500) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID62530500
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC NameN-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCC(C)CC(CCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)8-12(9-18-13(3,4)5)6-7-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyYAYDXWKCEIIYBV-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.01
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-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 62530500) is N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is CC(C)CC(CCOCC(F)(F)F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is YAYDXWKCEIIYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-11(2)8-12(9-18-13(3,4)5)6-7-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3.
What are the key properties of N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 62530500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).