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

C11H23F3N2 — CID 62255881

IUPAC2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(F)(F)F)CC(C)(CC)CN
InChIInChI=1S/C11H23F3N2/c1-4-6-16(9-11(12,13)14)8-10(3,5-2)7-15/h4-9,15H2,1-3H3
InChIKeyCYNNLZLEJBNTNH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.64
Rot. Bonds7

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

2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62255881) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62255881
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(F)(F)F)CC(C)(CC)CN
InChIInChI=1S/C11H23F3N2/c1-4-6-16(9-11(12,13)14)8-10(3,5-2)7-15/h4-9,15H2,1-3H3
InChIKeyCYNNLZLEJBNTNH-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62255881) is 2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCN(CC(F)(F)F)CC(C)(CC)CN.
What is the InChIKey of 2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is CYNNLZLEJBNTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-4-6-16(9-11(12,13)14)8-10(3,5-2)7-15/h4-9,15H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62255881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).