(1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine

C11H18F3N3 — CID 177356988

IUPAC(1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine
SMILESCC/N=C(\C=C(/C)C(F)(F)F)C/C(N)=C/NC
InChIInChI=1S/C11H18F3N3/c1-4-17-10(6-9(15)7-16-3)5-8(2)11(12,13)14/h5,7,16H,4,6,15H2,1-3H3/b8-5+,9-7-,17-10+
InChIKeyLGEAZBCODDXCNQ-VGVSQKDASA-N
MW249.28 g/mol
LogP2.37
Rot. Bonds5

About (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine

(1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine (PubChem CID 177356988) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine.

Molecular Properties

Compound Name(1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine
PubChem CID177356988
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name(1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine
SMILESCC/N=C(\C=C(/C)C(F)(F)F)C/C(N)=C/NC
InChIInChI=1S/C11H18F3N3/c1-4-17-10(6-9(15)7-16-3)5-8(2)11(12,13)14/h5,7,16H,4,6,15H2,1-3H3/b8-5+,9-7-,17-10+
InChIKeyLGEAZBCODDXCNQ-VGVSQKDASA-N
XLogP2.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine?
The IUPAC name of (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine (CID 177356988) is (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine.
What is the SMILES notation for (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine?
The canonical SMILES for (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine is CC/N=C(\C=C(/C)C(F)(F)F)C/C(N)=C/NC.
What is the InChIKey of (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine?
The InChIKey is LGEAZBCODDXCNQ-VGVSQKDASA-N. The full InChI is InChI=1S/C11H18F3N3/c1-4-17-10(6-9(15)7-16-3)5-8(2)11(12,13)14/h5,7,16H,4,6,15H2,1-3H3/b8-5+,9-7-,17-10+.
What are the key properties of (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine?
(1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine has a molecular weight of 249.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine is sourced from PubChem (CID 177356988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).