N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine

C15H28F3NO — CID 107009820

IUPACN-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
SMILESC=CCCCCCC(CCOCC(F)(F)F)NCCC
InChIInChI=1S/C15H28F3NO/c1-3-5-6-7-8-9-14(19-11-4-2)10-12-20-13-15(16,17)18/h3,14,19H,1,4-13H2,2H3
InChIKeyVJBSXNGMWGPLOJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.46
Rot. Bonds13

About N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine

N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine (PubChem CID 107009820) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
PubChem CID107009820
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
SMILESC=CCCCCCC(CCOCC(F)(F)F)NCCC
InChIInChI=1S/C15H28F3NO/c1-3-5-6-7-8-9-14(19-11-4-2)10-12-20-13-15(16,17)18/h3,14,19H,1,4-13H2,2H3
InChIKeyVJBSXNGMWGPLOJ-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.46
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-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
CID 89088323
1-(2,2,2-Trifluoroethoxy)oct-7-en-3-amine
CID 103148007
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148240
N-methyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148278
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148339
N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148375
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148484
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148486
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148593

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
The IUPAC name of N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine (CID 107009820) is N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine.
What is the SMILES notation for N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
The canonical SMILES for N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine is C=CCCCCCC(CCOCC(F)(F)F)NCCC.
What is the InChIKey of N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
The InChIKey is VJBSXNGMWGPLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-5-6-7-8-9-14(19-11-4-2)10-12-20-13-15(16,17)18/h3,14,19H,1,4-13H2,2H3.
What are the key properties of N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine has a molecular weight of 295.39 g/mol, XLogP of 4.46, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine is sourced from PubChem (CID 107009820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).