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

C10H19F3N2O — CID 61492279

IUPACN'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESNCCCN(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-7-6-15(5-1-4-14)9-2-3-9/h9H,1-8,14H2
InChIKeyLVILUAREHGYDII-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds8

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

N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (PubChem CID 61492279) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
PubChem CID61492279
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESNCCCN(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-7-6-15(5-1-4-14)9-2-3-9/h9H,1-8,14H2
InChIKeyLVILUAREHGYDII-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (CID 61492279) is N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is NCCCN(CCOCC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The InChIKey is LVILUAREHGYDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)8-16-7-6-15(5-1-4-14)9-2-3-9/h9H,1-8,14H2.
What are the key properties of N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 61492279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).