(2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine

C13H20F2N2 — CID 139474751

IUPAC(2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine
SMILES[H]/N=C/C(N)=C(/C)C(C)/C=C(\C)C(F)(F)C(=C)C
InChIInChI=1S/C13H20F2N2/c1-8(2)13(14,15)10(4)6-9(3)11(5)12(17)7-16/h6-7,9,16H,1,17H2,2-5H3/b10-6+,12-11+,16-7+
InChIKeyJHKZEEUEJYITFF-KYUHKGJESA-N
MW242.31 g/mol
LogP3.66
Rot. Bonds5

About (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine

(2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine (PubChem CID 139474751) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine.

Molecular Properties

Compound Name(2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine
PubChem CID139474751
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name(2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine
SMILES[H]/N=C/C(N)=C(/C)C(C)/C=C(\C)C(F)(F)C(=C)C
InChIInChI=1S/C13H20F2N2/c1-8(2)13(14,15)10(4)6-9(3)11(5)12(17)7-16/h6-7,9,16H,1,17H2,2-5H3/b10-6+,12-11+,16-7+
InChIKeyJHKZEEUEJYITFF-KYUHKGJESA-N
XLogP3.66
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine?
The IUPAC name of (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine (CID 139474751) is (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine.
What is the SMILES notation for (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine?
The canonical SMILES for (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine is [H]/N=C/C(N)=C(/C)C(C)/C=C(\C)C(F)(F)C(=C)C.
What is the InChIKey of (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine?
The InChIKey is JHKZEEUEJYITFF-KYUHKGJESA-N. The full InChI is InChI=1S/C13H20F2N2/c1-8(2)13(14,15)10(4)6-9(3)11(5)12(17)7-16/h6-7,9,16H,1,17H2,2-5H3/b10-6+,12-11+,16-7+.
What are the key properties of (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine?
(2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine has a molecular weight of 242.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-7,7-difluoro-1-imino-3,4,6,8-tetramethylnona-2,5,8-trien-2-amine is sourced from PubChem (CID 139474751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).