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

C13H23N3O — CID 63827661

IUPACN-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1cn(CCCNCCOC2CCCC2)cn1
InChIInChI=1S/C13H23N3O/c1-2-5-13(4-1)17-11-8-14-6-3-9-16-10-7-15-12-16/h7,10,12-14H,1-6,8-9,11H2
InChIKeyKJXGEISZVHIBMO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.82
Rot. Bonds8

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

N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine (PubChem CID 63827661) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine
PubChem CID63827661
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1cn(CCCNCCOC2CCCC2)cn1
InChIInChI=1S/C13H23N3O/c1-2-5-13(4-1)17-11-8-14-6-3-9-16-10-7-15-12-16/h7,10,12-14H,1-6,8-9,11H2
InChIKeyKJXGEISZVHIBMO-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.82
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-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine (CID 63827661) is N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine is c1cn(CCCNCCOC2CCCC2)cn1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine?
The InChIKey is KJXGEISZVHIBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-5-13(4-1)17-11-8-14-6-3-9-16-10-7-15-12-16/h7,10,12-14H,1-6,8-9,11H2.
What are the key properties of N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine?
N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 63827661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).