N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine

C14H26FN3O — CID 146245938

IUPACN-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine
SMILESCC(CCCC(C)OCCCF)CNc1ncc[nH]1
InChIInChI=1S/C14H26FN3O/c1-12(11-18-14-16-8-9-17-14)5-3-6-13(2)19-10-4-7-15/h8-9,12-13H,3-7,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyRTHWUABTVMZYJB-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.39
Rot. Bonds11

About N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine

N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine (PubChem CID 146245938) has the molecular formula C14H26FN3O and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine
PubChem CID146245938
Molecular FormulaC14H26FN3O
Molecular Weight271.38 g/mol
Exact Mass271.21
IUPAC NameN-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine
SMILESCC(CCCC(C)OCCCF)CNc1ncc[nH]1
InChIInChI=1S/C14H26FN3O/c1-12(11-18-14-16-8-9-17-14)5-3-6-13(2)19-10-4-7-15/h8-9,12-13H,3-7,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyRTHWUABTVMZYJB-UHFFFAOYSA-N
XLogP3.39
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
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-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine?
The IUPAC name of N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine (CID 146245938) is N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine is CC(CCCC(C)OCCCF)CNc1ncc[nH]1.
What is the InChIKey of N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine?
The InChIKey is RTHWUABTVMZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3O/c1-12(11-18-14-16-8-9-17-14)5-3-6-13(2)19-10-4-7-15/h8-9,12-13H,3-7,10-11H2,1-2H3,(H2,16,17,18).
What are the key properties of N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine?
N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine has a molecular weight of 271.38 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine is sourced from PubChem (CID 146245938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).