N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide

C13H21F3N2O — CID 162556626

IUPACN-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide
SMILESCC/C=C(\C=C/CC(F)(F)F)CN(CCN)C(C)=O
InChIInChI=1S/C13H21F3N2O/c1-3-5-12(6-4-7-13(14,15)16)10-18(9-8-17)11(2)19/h4-6H,3,7-10,17H2,1-2H3/b6-4-,12-5+
InChIKeyZJLGZOOLZPFSHI-GLNLJRCCSA-N
MW278.32 g/mol
LogP2.64
Rot. Bonds7

About N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide

N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide (PubChem CID 162556626) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide
PubChem CID162556626
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide
SMILESCC/C=C(\C=C/CC(F)(F)F)CN(CCN)C(C)=O
InChIInChI=1S/C13H21F3N2O/c1-3-5-12(6-4-7-13(14,15)16)10-18(9-8-17)11(2)19/h4-6H,3,7-10,17H2,1-2H3/b6-4-,12-5+
InChIKeyZJLGZOOLZPFSHI-GLNLJRCCSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide (CID 162556626) is N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide is CC/C=C(\C=C/CC(F)(F)F)CN(CCN)C(C)=O.
What is the InChIKey of N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide?
The InChIKey is ZJLGZOOLZPFSHI-GLNLJRCCSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-3-5-12(6-4-7-13(14,15)16)10-18(9-8-17)11(2)19/h4-6H,3,7-10,17H2,1-2H3/b6-4-,12-5+.
What are the key properties of N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide?
N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide has a molecular weight of 278.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(Z,2E)-6,6,6-trifluoro-2-propylidenehex-3-enyl]acetamide is sourced from PubChem (CID 162556626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).