1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine

C15H27F9N4 — CID 122628390

IUPAC1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine
SMILESCN(CCC(CN(C)CC(F)(F)F)C(N)CN(C)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C15H27F9N4/c1-26(8-13(16,17)18)5-4-11(6-27(2)9-14(19,20)21)12(25)7-28(3)10-15(22,23)24/h11-12H,4-10,25H2,1-3H3
InChIKeyPOMOKDQLEMHGOE-UHFFFAOYSA-N
MW434.39 g/mol
LogP2.80
Rot. Bonds11

About 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine

1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine (PubChem CID 122628390) has the molecular formula C15H27F9N4 and a molecular weight of 434.39 g/mol. Its IUPAC name is 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine.

Molecular Properties

Compound Name1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine
PubChem CID122628390
Molecular FormulaC15H27F9N4
Molecular Weight434.39 g/mol
Exact Mass434.21
IUPAC Name1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine
SMILESCN(CCC(CN(C)CC(F)(F)F)C(N)CN(C)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C15H27F9N4/c1-26(8-13(16,17)18)5-4-11(6-27(2)9-14(19,20)21)12(25)7-28(3)10-15(22,23)24/h11-12H,4-10,25H2,1-3H3
InChIKeyPOMOKDQLEMHGOE-UHFFFAOYSA-N
XLogP2.80
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine?
The IUPAC name of 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine (CID 122628390) is 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine.
What is the SMILES notation for 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine?
The canonical SMILES for 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine is CN(CCC(CN(C)CC(F)(F)F)C(N)CN(C)CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine?
The InChIKey is POMOKDQLEMHGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F9N4/c1-26(8-13(16,17)18)5-4-11(6-27(2)9-14(19,20)21)12(25)7-28(3)10-15(22,23)24/h11-12H,4-10,25H2,1-3H3.
What are the key properties of 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine?
1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine has a molecular weight of 434.39 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-dimethyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-N,5-N-bis(2,2,2-trifluoroethyl)pentane-1,2,5-triamine is sourced from PubChem (CID 122628390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).