N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine

C15H11F13N2 — CID 164682175

IUPACN-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine
SMILESCN(C)/N=C(/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H11F13N2/c1-30(2)29-9(8-6-4-3-5-7-8)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-7H,1-2H3/b29-9-
InChIKeyHSFSHIDHELOKHY-JNNAGZRYSA-N
MW466.24 g/mol
LogP5.69
Rot. Bonds7

About N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine

N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine (PubChem CID 164682175) has the molecular formula C15H11F13N2 and a molecular weight of 466.24 g/mol. Its IUPAC name is N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine
PubChem CID164682175
Molecular FormulaC15H11F13N2
Molecular Weight466.24 g/mol
Exact Mass466.07
IUPAC NameN-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine
SMILESCN(C)/N=C(/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H11F13N2/c1-30(2)29-9(8-6-4-3-5-7-8)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-7H,1-2H3/b29-9-
InChIKeyHSFSHIDHELOKHY-JNNAGZRYSA-N
XLogP5.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.24
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine?
The IUPAC name of N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine (CID 164682175) is N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine.
What is the SMILES notation for N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine?
The canonical SMILES for N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine is CN(C)/N=C(/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine?
The InChIKey is HSFSHIDHELOKHY-JNNAGZRYSA-N. The full InChI is InChI=1S/C15H11F13N2/c1-30(2)29-9(8-6-4-3-5-7-8)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h3-7H,1-2H3/b29-9-.
What are the key properties of N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine?
N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine has a molecular weight of 466.24 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-phenylheptylidene)amino]methanamine is sourced from PubChem (CID 164682175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).