N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine

C5H9FN2 — CID 19701071

IUPACN-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine
SMILESC=C(F)/C=N/N(C)C
InChIInChI=1S/C5H9FN2/c1-5(6)4-7-8(2)3/h4H,1H2,2-3H3/b7-4+
InChIKeyWYZUWPUWVSNZJJ-QPJJXVBHSA-N
MW116.14 g/mol
LogP1.02
Rot. Bonds2

About N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine

N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine (PubChem CID 19701071) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine
PubChem CID19701071
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC NameN-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine
SMILESC=C(F)/C=N/N(C)C
InChIInChI=1S/C5H9FN2/c1-5(6)4-7-8(2)3/h4H,1H2,2-3H3/b7-4+
InChIKeyWYZUWPUWVSNZJJ-QPJJXVBHSA-N
XLogP1.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.02
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine (CID 19701071) is N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine is C=C(F)/C=N/N(C)C.
What is the InChIKey of N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine?
The InChIKey is WYZUWPUWVSNZJJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H9FN2/c1-5(6)4-7-8(2)3/h4H,1H2,2-3H3/b7-4+.
What are the key properties of N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine?
N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine has a molecular weight of 116.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine is sourced from PubChem (CID 19701071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).