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

C14H29F3N2 — CID 55056324

IUPAC2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(CCC)CC(F)(F)F
InChIInChI=1S/C14H29F3N2/c1-5-8-18-10-13(4,7-3)11-19(9-6-2)12-14(15,16)17/h18H,5-12H2,1-4H3
InChIKeyPJXGQBNXFBLBTO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.68
Rot. Bonds10

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

2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 55056324) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID55056324
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC Name2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(CCC)CC(F)(F)F
InChIInChI=1S/C14H29F3N2/c1-5-8-18-10-13(4,7-3)11-19(9-6-2)12-14(15,16)17/h18H,5-12H2,1-4H3
InChIKeyPJXGQBNXFBLBTO-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 55056324) is 2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCNCC(C)(CC)CN(CCC)CC(F)(F)F.
What is the InChIKey of 2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is PJXGQBNXFBLBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-5-8-18-10-13(4,7-3)11-19(9-6-2)12-14(15,16)17/h18H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.68, 10 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,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 55056324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).