N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine

C14H25N3O — CID 55260107

IUPACN-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1cn(CCCNCCOC2CCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-2-5-14(6-3-1)18-12-9-15-7-4-10-17-11-8-16-13-17/h8,11,13-15H,1-7,9-10,12H2
InChIKeyDGAUKJVGGKEXEC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.21
Rot. Bonds8

About N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine

N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine (PubChem CID 55260107) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine
PubChem CID55260107
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1cn(CCCNCCOC2CCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-2-5-14(6-3-1)18-12-9-15-7-4-10-17-11-8-16-13-17/h8,11,13-15H,1-7,9-10,12H2
InChIKeyDGAUKJVGGKEXEC-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
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 N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine (CID 55260107) is N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine is c1cn(CCCNCCOC2CCCCC2)cn1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine?
The InChIKey is DGAUKJVGGKEXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-5-14(6-3-1)18-12-9-15-7-4-10-17-11-8-16-13-17/h8,11,13-15H,1-7,9-10,12H2.
What are the key properties of N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine?
N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 55260107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).