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

C14H29F3N2 — CID 62256397

IUPACN,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(F)(F)F)CC(CC)(CC)CNCC
InChIInChI=1S/C14H29F3N2/c1-5-9-19(12-14(15,16)17)11-13(6-2,7-3)10-18-8-4/h18H,5-12H2,1-4H3
InChIKeyHCVQOLXOQAMAQD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.68
Rot. Bonds10

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

N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62256397) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62256397
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC NameN,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(F)(F)F)CC(CC)(CC)CNCC
InChIInChI=1S/C14H29F3N2/c1-5-9-19(12-14(15,16)17)11-13(6-2,7-3)10-18-8-4/h18H,5-12H2,1-4H3
InChIKeyHCVQOLXOQAMAQD-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

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Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62256397) is N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCN(CC(F)(F)F)CC(CC)(CC)CNCC.
What is the InChIKey of N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is HCVQOLXOQAMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-5-9-19(12-14(15,16)17)11-13(6-2,7-3)10-18-8-4/h18H,5-12H2,1-4H3.
What are the key properties of N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N,2,2-triethyl-N'-propyl-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 N,2,2-triethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62256397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).