N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine

C7H14FN3 — CID 126979416

IUPACN-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCCF
InChIInChI=1S/C7H14FN3/c1-11-6-5-10-7(11)9-4-2-3-8/h2-6H2,1H3,(H,9,10)
InChIKeyLVHGLUDSPIHZCX-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.24
Rot. Bonds3

About N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine

N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 126979416) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID126979416
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC NameN-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCCF
InChIInChI=1S/C7H14FN3/c1-11-6-5-10-7(11)9-4-2-3-8/h2-6H2,1H3,(H,9,10)
InChIKeyLVHGLUDSPIHZCX-UHFFFAOYSA-N
XLogP0.24
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine (CID 126979416) is N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCCCF.
What is the InChIKey of N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LVHGLUDSPIHZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3/c1-11-6-5-10-7(11)9-4-2-3-8/h2-6H2,1H3,(H,9,10).
What are the key properties of N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine?
N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 159.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 126979416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).