N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine

C13H11F9N2 — CID 135030967

IUPACN-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine
SMILESCN(C)/N=C(\c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H11F9N2/c1-24(2)23-9(8-6-4-3-5-7-8)10(14,15)11(16,17)12(18,19)13(20,21)22/h3-7H,1-2H3/b23-9+
InChIKeyXBQXLMZLCMNCJM-NUGSKGIGSA-N
MW366.23 g/mol
LogP4.42
Rot. Bonds5

About N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine

N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine (PubChem CID 135030967) has the molecular formula C13H11F9N2 and a molecular weight of 366.23 g/mol. Its IUPAC name is N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine
PubChem CID135030967
Molecular FormulaC13H11F9N2
Molecular Weight366.23 g/mol
Exact Mass366.08
IUPAC NameN-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine
SMILESCN(C)/N=C(\c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H11F9N2/c1-24(2)23-9(8-6-4-3-5-7-8)10(14,15)11(16,17)12(18,19)13(20,21)22/h3-7H,1-2H3/b23-9+
InChIKeyXBQXLMZLCMNCJM-NUGSKGIGSA-N
XLogP4.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.42
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-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine (CID 135030967) is N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine is CN(C)/N=C(\c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine?
The InChIKey is XBQXLMZLCMNCJM-NUGSKGIGSA-N. The full InChI is InChI=1S/C13H11F9N2/c1-24(2)23-9(8-6-4-3-5-7-8)10(14,15)11(16,17)12(18,19)13(20,21)22/h3-7H,1-2H3/b23-9+.
What are the key properties of N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine?
N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine has a molecular weight of 366.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine is sourced from PubChem (CID 135030967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).