N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C14H26F3NO — CID 102641423

IUPACN-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESC=CC(C)(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-6-13(5,10-18-12(2,3)4)8-7-9-19-11-14(15,16)17/h6,18H,1,7-11H2,2-5H3
InChIKeyXXHFBHMSTXLMRZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.93
Rot. Bonds8

About N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 102641423) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID102641423
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESC=CC(C)(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-6-13(5,10-18-12(2,3)4)8-7-9-19-11-14(15,16)17/h6,18H,1,7-11H2,2-5H3
InChIKeyXXHFBHMSTXLMRZ-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725545
2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
2-ethenyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640930
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641085
2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641092
N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 102641252
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641588
2-ethenyl-N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641758
2-ethenyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 113719590
N-tert-butyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719697
2-ethenyl-5-ethoxy-N,2-dimethylpentan-1-amine
CID 102640518
2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 102640688

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 102641423) is N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is C=CC(C)(CCCOCC(F)(F)F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is XXHFBHMSTXLMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-6-13(5,10-18-12(2,3)4)8-7-9-19-11-14(15,16)17/h6,18H,1,7-11H2,2-5H3.
What are the key properties of N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.93, 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-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 102641423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).