N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C13H26F3NO — CID 55107180

IUPACN-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(C)(CCCOCC(F)(F)F)CNCC
InChIInChI=1S/C13H26F3NO/c1-4-7-12(3,10-17-5-2)8-6-9-18-11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyYYWZKLRPHMVOPZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds10

About N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 55107180) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID55107180
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC NameN-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(C)(CCCOCC(F)(F)F)CNCC
InChIInChI=1S/C13H26F3NO/c1-4-7-12(3,10-17-5-2)8-6-9-18-11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyYYWZKLRPHMVOPZ-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 55107180) is N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCC(C)(CCCOCC(F)(F)F)CNCC.
What is the InChIKey of N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is YYWZKLRPHMVOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-4-7-12(3,10-17-5-2)8-6-9-18-11-13(14,15)16/h17H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 55107180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).