N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C12H25F3N2 — CID 55056657

IUPACN,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(CC)(CC)CNC
InChIInChI=1S/C12H25F3N2/c1-5-11(6-2,8-16-4)9-17(7-3)10-12(13,14)15/h16H,5-10H2,1-4H3
InChIKeyVNCOWALWELQPAJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.90
Rot. Bonds8

About N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 55056657) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID55056657
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC NameN,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(CC)(CC)CNC
InChIInChI=1S/C12H25F3N2/c1-5-11(6-2,8-16-4)9-17(7-3)10-12(13,14)15/h16H,5-10H2,1-4H3
InChIKeyVNCOWALWELQPAJ-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 55056657) is N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCN(CC(F)(F)F)CC(CC)(CC)CNC.
What is the InChIKey of N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is VNCOWALWELQPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-5-11(6-2,8-16-4)9-17(7-3)10-12(13,14)15/h16H,5-10H2,1-4H3.
What are the key properties of N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 55056657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).