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

C14H29F3N2 — CID 62258432

IUPAC2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C14H29F3N2/c1-6-13(7-2,9-18-8-12(3)4)10-19(5)11-14(15,16)17/h12,18H,6-11H2,1-5H3
InChIKeyIEVUCQIEMGANJE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.53
Rot. Bonds9

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

2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62258432) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62258432
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC Name2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C14H29F3N2/c1-6-13(7-2,9-18-8-12(3)4)10-19(5)11-14(15,16)17/h12,18H,6-11H2,1-5H3
InChIKeyIEVUCQIEMGANJE-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62258432) is 2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCC(CC)(CNCC(C)C)CN(C)CC(F)(F)F.
What is the InChIKey of 2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is IEVUCQIEMGANJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-6-13(7-2,9-18-8-12(3)4)10-19(5)11-14(15,16)17/h12,18H,6-11H2,1-5H3.
What are the key properties of 2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62258432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).