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

C10H21F3N2O — CID 61492278

IUPACN'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESCC(C)N(CCCN)CCOCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-9(2)15(5-3-4-14)6-7-16-8-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyNMAJVFKTGSBBFS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.62
Rot. Bonds8

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

N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (PubChem CID 61492278) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
PubChem CID61492278
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC NameN'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESCC(C)N(CCCN)CCOCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-9(2)15(5-3-4-14)6-7-16-8-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyNMAJVFKTGSBBFS-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.62
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'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (CID 61492278) is N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is CC(C)N(CCCN)CCOCC(F)(F)F.
What is the InChIKey of N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The InChIKey is NMAJVFKTGSBBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-9(2)15(5-3-4-14)6-7-16-8-10(11,12)13/h9H,3-8,14H2,1-2H3.
What are the key properties of N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 61492278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).