2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C13H24F3NO — CID 102641092

IUPAC2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESC=CC(C)(CCCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C13H24F3NO/c1-5-12(4,9-17-11(2)3)7-6-8-18-10-13(14,15)16/h5,11,17H,1,6-10H2,2-4H3
InChIKeyXCKCWECKNQCSTJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.54
Rot. Bonds9

About 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 102641092) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID102641092
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESC=CC(C)(CCCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C13H24F3NO/c1-5-12(4,9-17-11(2)3)7-6-8-18-10-13(14,15)16/h5,11,17H,1,6-10H2,2-4H3
InChIKeyXCKCWECKNQCSTJ-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.54
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

2,2-dimethyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723339
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
N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 102641252
N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641423
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-[2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-enyl]cyclopropanamine
CID 113719679
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

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 102641092) is 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is C=CC(C)(CCCOCC(F)(F)F)CNC(C)C.
What is the InChIKey of 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is XCKCWECKNQCSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-5-12(4,9-17-11(2)3)7-6-8-18-10-13(14,15)16/h5,11,17H,1,6-10H2,2-4H3.
What are the key properties of 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 102641092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).