N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine

C9H19F3N2O — CID 61492236

IUPACN'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESCCN(CCCN)CCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-14(5-3-4-13)6-7-15-8-9(10,11)12/h2-8,13H2,1H3
InChIKeyVEEYDHSKNQAORK-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.24
Rot. Bonds8

About N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine

N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (PubChem CID 61492236) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
PubChem CID61492236
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC NameN'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESCCN(CCCN)CCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-14(5-3-4-13)6-7-15-8-9(10,11)12/h2-8,13H2,1H3
InChIKeyVEEYDHSKNQAORK-UHFFFAOYSA-N
XLogP1.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
CID 106450802
N'-ethyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine
CID 103178048
4-[2-(diethylamino)ethoxy]butan-1-amine
CID 62459330
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 80673197
N'-(2-butoxyethyl)-N'-ethylethane-1,2-diamine
CID 61483279
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate
CID 62027910
2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 62010161
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (CID 61492236) is N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is CCN(CCCN)CCOCC(F)(F)F.
What is the InChIKey of N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The InChIKey is VEEYDHSKNQAORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-2-14(5-3-4-13)6-7-15-8-9(10,11)12/h2-8,13H2,1H3.
What are the key properties of N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 61492236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).