(E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine

C7H12FN3 — CID 156818872

IUPAC(E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine
SMILES[H]/N=C(C(/F)=C\NC)\N1CCC1
InChIInChI=1S/C7H12FN3/c1-10-5-6(8)7(9)11-3-2-4-11/h5,9-10H,2-4H2,1H3/b6-5+,9-7-
InChIKeyBJMCBHHPLZOXFI-UQIVLYAPSA-N
MW157.19 g/mol
LogP0.70
Rot. Bonds2

About (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine

(E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine (PubChem CID 156818872) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine
PubChem CID156818872
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name(E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine
SMILES[H]/N=C(C(/F)=C\NC)\N1CCC1
InChIInChI=1S/C7H12FN3/c1-10-5-6(8)7(9)11-3-2-4-11/h5,9-10H,2-4H2,1H3/b6-5+,9-7-
InChIKeyBJMCBHHPLZOXFI-UQIVLYAPSA-N
XLogP0.70
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine?
The IUPAC name of (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine (CID 156818872) is (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine.
What is the SMILES notation for (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine?
The canonical SMILES for (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine is [H]/N=C(C(/F)=C\NC)\N1CCC1.
What is the InChIKey of (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine?
The InChIKey is BJMCBHHPLZOXFI-UQIVLYAPSA-N. The full InChI is InChI=1S/C7H12FN3/c1-10-5-6(8)7(9)11-3-2-4-11/h5,9-10H,2-4H2,1H3/b6-5+,9-7-.
What are the key properties of (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine?
(E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine has a molecular weight of 157.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine is sourced from PubChem (CID 156818872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).