2-tridecylimidazolidine

C16H34N2 — CID 54282172

IUPAC2-tridecylimidazolidine
SMILESCCCCCCCCCCCCCC1NCCN1
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h16-18H,2-15H2,1H3
InChIKeyRRNUFJGJPXGRPA-UHFFFAOYSA-N
MW254.46 g/mol
LogP4.21
Rot. Bonds12

About 2-tridecylimidazolidine

2-tridecylimidazolidine (PubChem CID 54282172) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-tridecylimidazolidine.

Molecular Properties

Compound Name2-tridecylimidazolidine
PubChem CID54282172
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-tridecylimidazolidine
SMILESCCCCCCCCCCCCCC1NCCN1
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h16-18H,2-15H2,1H3
InChIKeyRRNUFJGJPXGRPA-UHFFFAOYSA-N
XLogP4.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octadecylpiperazine
CID 155671137
4-hexadecylpiperidine
CID 54096875
4-heptylpiperidine;methane
CID 144690559
2-undecylimidazolidin-4-one
CID 175066208
2-pentylaziridine
CID 19101061
(2S)-2-hexylpyrrolidine
CID 7047826
2-tetradecylpiperidine
CID 151771246
2-heptadecylazepane
CID 4009189
(3S)-3-pentylpyrrolidine
CID 10261191
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
ethanol;2-undecyl-2,3-dihydro-1H-imidazole
CID 174912710
chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride
CID 173229740

Frequently Asked Questions

What is the IUPAC name of 2-tridecylimidazolidine?
The IUPAC name of 2-tridecylimidazolidine (CID 54282172) is 2-tridecylimidazolidine.
What is the SMILES notation for 2-tridecylimidazolidine?
The canonical SMILES for 2-tridecylimidazolidine is CCCCCCCCCCCCCC1NCCN1.
What is the InChIKey of 2-tridecylimidazolidine?
The InChIKey is RRNUFJGJPXGRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h16-18H,2-15H2,1H3.
What are the key properties of 2-tridecylimidazolidine?
2-tridecylimidazolidine has a molecular weight of 254.46 g/mol, XLogP of 4.21, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecylimidazolidine is sourced from PubChem (CID 54282172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).