1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine

C11H20FN3 — CID 115894742

IUPAC1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine
SMILESCc1ncn(CC(C)NCCCF)c1C
InChIInChI=1S/C11H20FN3/c1-9(13-6-4-5-12)7-15-8-14-10(2)11(15)3/h8-9,13H,4-7H2,1-3H3
InChIKeyCUAQLMUKYDFZJN-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.84
Rot. Bonds6

About 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine

1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine (PubChem CID 115894742) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine
PubChem CID115894742
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine
SMILESCc1ncn(CC(C)NCCCF)c1C
InChIInChI=1S/C11H20FN3/c1-9(13-6-4-5-12)7-15-8-14-10(2)11(15)3/h8-9,13H,4-7H2,1-3H3
InChIKeyCUAQLMUKYDFZJN-UHFFFAOYSA-N
XLogP1.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.84
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 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine?
The IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine (CID 115894742) is 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine.
What is the SMILES notation for 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine?
The canonical SMILES for 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine is Cc1ncn(CC(C)NCCCF)c1C.
What is the InChIKey of 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine?
The InChIKey is CUAQLMUKYDFZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-9(13-6-4-5-12)7-15-8-14-10(2)11(15)3/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine?
1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine has a molecular weight of 213.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylimidazol-1-yl)-N-(3-fluoropropyl)propan-2-amine is sourced from PubChem (CID 115894742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).