N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine

C9H14FN3 — CID 91487725

IUPACN-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine
SMILESC/C(=N\CC(C)F)C1=NC(C)N=C1
InChIInChI=1S/C9H14FN3/c1-6(10)4-11-7(2)9-5-12-8(3)13-9/h5-6,8H,4H2,1-3H3/b11-7+
InChIKeyJYMYUMFUOCCQOS-YRNVUSSQSA-N
MW183.23 g/mol
LogP1.68
Rot. Bonds3

About N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine

N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine (PubChem CID 91487725) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine.

Molecular Properties

Compound NameN-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine
PubChem CID91487725
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine
SMILESC/C(=N\CC(C)F)C1=NC(C)N=C1
InChIInChI=1S/C9H14FN3/c1-6(10)4-11-7(2)9-5-12-8(3)13-9/h5-6,8H,4H2,1-3H3/b11-7+
InChIKeyJYMYUMFUOCCQOS-YRNVUSSQSA-N
XLogP1.68
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine?
The IUPAC name of N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine (CID 91487725) is N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine.
What is the SMILES notation for N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine?
The canonical SMILES for N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine is C/C(=N\CC(C)F)C1=NC(C)N=C1.
What is the InChIKey of N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine?
The InChIKey is JYMYUMFUOCCQOS-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H14FN3/c1-6(10)4-11-7(2)9-5-12-8(3)13-9/h5-6,8H,4H2,1-3H3/b11-7+.
What are the key properties of N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine?
N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine has a molecular weight of 183.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-1-(2-methyl-2H-imidazol-4-yl)ethanimine is sourced from PubChem (CID 91487725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).