N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

C13H27F3N2O — CID 61491262

IUPACN',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCC(C)N(CCNCCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C13H27F3N2O/c1-11(2)18(12(3)4)8-7-17-6-5-9-19-10-13(14,15)16/h11-12,17H,5-10H2,1-4H3
InChIKeyJXKBWUKNAYMWDB-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.66
Rot. Bonds10

About N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 61491262) has the molecular formula C13H27F3N2O and a molecular weight of 284.37 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID61491262
Molecular FormulaC13H27F3N2O
Molecular Weight284.37 g/mol
Exact Mass284.21
IUPAC NameN',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCC(C)N(CCNCCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C13H27F3N2O/c1-11(2)18(12(3)4)8-7-17-6-5-9-19-10-13(14,15)16/h11-12,17H,5-10H2,1-4H3
InChIKeyJXKBWUKNAYMWDB-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.66
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',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 61491262) is N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CC(C)N(CCNCCCOCC(F)(F)F)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is JXKBWUKNAYMWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O/c1-11(2)18(12(3)4)8-7-17-6-5-9-19-10-13(14,15)16/h11-12,17H,5-10H2,1-4H3.
What are the key properties of N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 284.37 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 61491262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).