6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine

C17H25N3O — CID 10108128

IUPAC6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine
SMILESCN(C)CCCCCCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H25N3O/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20/h7-11,13,15H,3-6,12,14H2,1-2H3
InChIKeyFIFQJYUSSPRJIZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.37
Rot. Bonds9

About 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine

6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine (PubChem CID 10108128) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine
PubChem CID10108128
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine
SMILESCN(C)CCCCCCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H25N3O/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20/h7-11,13,15H,3-6,12,14H2,1-2H3
InChIKeyFIFQJYUSSPRJIZ-UHFFFAOYSA-N
XLogP3.37
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine?
The IUPAC name of 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine (CID 10108128) is 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine.
What is the SMILES notation for 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine?
The canonical SMILES for 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine is CN(C)CCCCCCOc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine?
The InChIKey is FIFQJYUSSPRJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20/h7-11,13,15H,3-6,12,14H2,1-2H3.
What are the key properties of 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine?
6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine is sourced from PubChem (CID 10108128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).