ethanol;2-nonyl-4,5-dihydro-1H-imidazole

C14H30N2O — CID 174963406

IUPACethanol;2-nonyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCC1=NCCN1.CCO
InChIInChI=1S/C12H24N2.C2H6O/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12;1-2-3/h2-11H2,1H3,(H,13,14);3H,2H2,1H3
InChIKeyWOELTNHXDRHSEW-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.13
Rot. Bonds8

About ethanol;2-nonyl-4,5-dihydro-1H-imidazole

ethanol;2-nonyl-4,5-dihydro-1H-imidazole (PubChem CID 174963406) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is ethanol;2-nonyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameethanol;2-nonyl-4,5-dihydro-1H-imidazole
PubChem CID174963406
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Nameethanol;2-nonyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCC1=NCCN1.CCO
InChIInChI=1S/C12H24N2.C2H6O/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12;1-2-3/h2-11H2,1H3,(H,13,14);3H,2H2,1H3
InChIKeyWOELTNHXDRHSEW-UHFFFAOYSA-N
XLogP3.13
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.13
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 ethanol;2-nonyl-4,5-dihydro-1H-imidazole?
The IUPAC name of ethanol;2-nonyl-4,5-dihydro-1H-imidazole (CID 174963406) is ethanol;2-nonyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for ethanol;2-nonyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for ethanol;2-nonyl-4,5-dihydro-1H-imidazole is CCCCCCCCCC1=NCCN1.CCO.
What is the InChIKey of ethanol;2-nonyl-4,5-dihydro-1H-imidazole?
The InChIKey is WOELTNHXDRHSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C2H6O/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12;1-2-3/h2-11H2,1H3,(H,13,14);3H,2H2,1H3.
What are the key properties of ethanol;2-nonyl-4,5-dihydro-1H-imidazole?
ethanol;2-nonyl-4,5-dihydro-1H-imidazole has a molecular weight of 242.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-nonyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 174963406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).