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

C11H23F3N2O — CID 54984532

IUPACN-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCCCN(CCCOCC(F)(F)F)CCNC
InChIInChI=1S/C11H23F3N2O/c1-3-6-16(8-5-15-2)7-4-9-17-10-11(12,13)14/h15H,3-10H2,1-2H3
InChIKeyXJBVGBPCDPRZLR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.89
Rot. Bonds10

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

N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 54984532) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID54984532
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC NameN-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCCCN(CCCOCC(F)(F)F)CCNC
InChIInChI=1S/C11H23F3N2O/c1-3-6-16(8-5-15-2)7-4-9-17-10-11(12,13)14/h15H,3-10H2,1-2H3
InChIKeyXJBVGBPCDPRZLR-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.89
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-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 54984532) is N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CCCN(CCCOCC(F)(F)F)CCNC.
What is the InChIKey of N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is XJBVGBPCDPRZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-3-6-16(8-5-15-2)7-4-9-17-10-11(12,13)14/h15H,3-10H2,1-2H3.
What are the key properties of N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 256.31 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 54984532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).