1-hexyl-2,3,4,5-tetramethylimidazolidine

C13H28N2 — CID 123153164

IUPAC1-hexyl-2,3,4,5-tetramethylimidazolidine
SMILESCCCCCCN1C(C)C(C)N(C)C1C
InChIInChI=1S/C13H28N2/c1-6-7-8-9-10-15-12(3)11(2)14(5)13(15)4/h11-13H,6-10H2,1-5H3
InChIKeyOFXGPDRAASJKFT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.94
Rot. Bonds5

About 1-hexyl-2,3,4,5-tetramethylimidazolidine

1-hexyl-2,3,4,5-tetramethylimidazolidine (PubChem CID 123153164) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-hexyl-2,3,4,5-tetramethylimidazolidine.

Molecular Properties

Compound Name1-hexyl-2,3,4,5-tetramethylimidazolidine
PubChem CID123153164
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-hexyl-2,3,4,5-tetramethylimidazolidine
SMILESCCCCCCN1C(C)C(C)N(C)C1C
InChIInChI=1S/C13H28N2/c1-6-7-8-9-10-15-12(3)11(2)14(5)13(15)4/h11-13H,6-10H2,1-5H3
InChIKeyOFXGPDRAASJKFT-UHFFFAOYSA-N
XLogP2.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dibutyl-2-propyl-imidazolidine
CID 52814
1-Methyl-3-octylimidazoline
CID 17936850
1,2,3,4,5-Pentamethylimidazolidine
CID 18723718
1-Butyl-3-methylimidazolidine
CID 23064846
1,3-Dibutylimidazolidine
CID 54208541
1-Hexyl-3-methylimidazolidine
CID 58835588
1-Methyl-2-methyl-3-butyl imidazoline
CID 58905546
Pentamethylimid azolidine
CID 70230384
1-Butyl-3-propylimidazolidine
CID 90057578
1,1'-Methylenebis(2,5-dimethylpyrrolidine)
CID 167894
1,3-Dicyclohexylimidazolidine
CID 10119112
2-Fluoro-1,3-dihexylimidazolidine
CID 69129645

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2,3,4,5-tetramethylimidazolidine?
The IUPAC name of 1-hexyl-2,3,4,5-tetramethylimidazolidine (CID 123153164) is 1-hexyl-2,3,4,5-tetramethylimidazolidine.
What is the SMILES notation for 1-hexyl-2,3,4,5-tetramethylimidazolidine?
The canonical SMILES for 1-hexyl-2,3,4,5-tetramethylimidazolidine is CCCCCCN1C(C)C(C)N(C)C1C.
What is the InChIKey of 1-hexyl-2,3,4,5-tetramethylimidazolidine?
The InChIKey is OFXGPDRAASJKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-7-8-9-10-15-12(3)11(2)14(5)13(15)4/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-hexyl-2,3,4,5-tetramethylimidazolidine?
1-hexyl-2,3,4,5-tetramethylimidazolidine has a molecular weight of 212.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,3,4,5-tetramethylimidazolidine is sourced from PubChem (CID 123153164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).