N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

C9H19F3N2O — CID 61490979

IUPACN,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCNCCN(C)CCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-13-4-6-14(2)5-3-7-15-8-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyXJYCLDDFUKYRTB-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.11
Rot. Bonds8

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

N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 61490979) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID61490979
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC NameN,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCNCCN(C)CCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-13-4-6-14(2)5-3-7-15-8-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyXJYCLDDFUKYRTB-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 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 ≤ 51.11
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'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 61490979) is N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CNCCN(C)CCCOCC(F)(F)F.
What is the InChIKey of N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is XJYCLDDFUKYRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-13-4-6-14(2)5-3-7-15-8-9(10,11)12/h13H,3-8H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 61490979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).