1-(6-ethoxyhexyl)-3-methylimidazolidine

C12H26N2O — CID 140684108

IUPAC1-(6-ethoxyhexyl)-3-methylimidazolidine
SMILESCCOCCCCCCN1CCN(C)C1
InChIInChI=1S/C12H26N2O/c1-3-15-11-7-5-4-6-8-14-10-9-13(2)12-14/h3-12H2,1-2H3
InChIKeyFCAHPNJSRYGGQO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.79
Rot. Bonds8

About 1-(6-ethoxyhexyl)-3-methylimidazolidine

1-(6-ethoxyhexyl)-3-methylimidazolidine (PubChem CID 140684108) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(6-ethoxyhexyl)-3-methylimidazolidine.

Molecular Properties

Compound Name1-(6-ethoxyhexyl)-3-methylimidazolidine
PubChem CID140684108
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(6-ethoxyhexyl)-3-methylimidazolidine
SMILESCCOCCCCCCN1CCN(C)C1
InChIInChI=1S/C12H26N2O/c1-3-15-11-7-5-4-6-8-14-10-9-13(2)12-14/h3-12H2,1-2H3
InChIKeyFCAHPNJSRYGGQO-UHFFFAOYSA-N
XLogP1.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
1-methyl-3-octadecylimidazolidine;hydrobromide
CID 173194742
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
4-(4-ethoxybutyl)morpholine
CID 10726253
ethane;2-[3-(5-ethoxypentoxy)propoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 168970015
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide
CID 142367464
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride
CID 158364955
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxyhexyl)-3-methylimidazolidine?
The IUPAC name of 1-(6-ethoxyhexyl)-3-methylimidazolidine (CID 140684108) is 1-(6-ethoxyhexyl)-3-methylimidazolidine.
What is the SMILES notation for 1-(6-ethoxyhexyl)-3-methylimidazolidine?
The canonical SMILES for 1-(6-ethoxyhexyl)-3-methylimidazolidine is CCOCCCCCCN1CCN(C)C1.
What is the InChIKey of 1-(6-ethoxyhexyl)-3-methylimidazolidine?
The InChIKey is FCAHPNJSRYGGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-15-11-7-5-4-6-8-14-10-9-13(2)12-14/h3-12H2,1-2H3.
What are the key properties of 1-(6-ethoxyhexyl)-3-methylimidazolidine?
1-(6-ethoxyhexyl)-3-methylimidazolidine has a molecular weight of 214.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxyhexyl)-3-methylimidazolidine is sourced from PubChem (CID 140684108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).