(2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine

C13H20F3N3 — CID 166865534

IUPAC(2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine
SMILESC=CN/C=C(\C/C(=C\CN)NC1CCC1)C(F)(F)F
InChIInChI=1S/C13H20F3N3/c1-2-18-9-10(13(14,15)16)8-12(6-7-17)19-11-4-3-5-11/h2,6,9,11,18-19H,1,3-5,7-8,17H2/b10-9+,12-6+
InChIKeyJMMYZGHPDZZBSV-AYCKBHPDSA-N
MW275.32 g/mol
LogP2.54
Rot. Bonds7

About (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine

(2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine (PubChem CID 166865534) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine.

Molecular Properties

Compound Name(2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine
PubChem CID166865534
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name(2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine
SMILESC=CN/C=C(\C/C(=C\CN)NC1CCC1)C(F)(F)F
InChIInChI=1S/C13H20F3N3/c1-2-18-9-10(13(14,15)16)8-12(6-7-17)19-11-4-3-5-11/h2,6,9,11,18-19H,1,3-5,7-8,17H2/b10-9+,12-6+
InChIKeyJMMYZGHPDZZBSV-AYCKBHPDSA-N
XLogP2.54
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine?
The IUPAC name of (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine (CID 166865534) is (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine.
What is the SMILES notation for (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine?
The canonical SMILES for (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine is C=CN/C=C(\C/C(=C\CN)NC1CCC1)C(F)(F)F.
What is the InChIKey of (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine?
The InChIKey is JMMYZGHPDZZBSV-AYCKBHPDSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-2-18-9-10(13(14,15)16)8-12(6-7-17)19-11-4-3-5-11/h2,6,9,11,18-19H,1,3-5,7-8,17H2/b10-9+,12-6+.
What are the key properties of (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine?
(2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine has a molecular weight of 275.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-3-N-cyclobutyl-6-N-ethenyl-5-(trifluoromethyl)hexa-2,5-diene-1,3,6-triamine is sourced from PubChem (CID 166865534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).