1,3-dimethyl-2-nonylimidazolidine;hydroiodide

C14H31IN2 — CID 173458444

IUPAC1,3-dimethyl-2-nonylimidazolidine;hydroiodide
SMILESCCCCCCCCCC1N(C)CCN1C.I
InChIInChI=1S/C14H30N2.HI/c1-4-5-6-7-8-9-10-11-14-15(2)12-13-16(14)3;/h14H,4-13H2,1-3H3;1H
InChIKeyOGPRNSWAWMNNIR-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.95
Rot. Bonds8

About 1,3-dimethyl-2-nonylimidazolidine;hydroiodide

1,3-dimethyl-2-nonylimidazolidine;hydroiodide (PubChem CID 173458444) has the molecular formula C14H31IN2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 1,3-dimethyl-2-nonylimidazolidine;hydroiodide.

Molecular Properties

Compound Name1,3-dimethyl-2-nonylimidazolidine;hydroiodide
PubChem CID173458444
Molecular FormulaC14H31IN2
Molecular Weight354.32 g/mol
Exact Mass354.15
IUPAC Name1,3-dimethyl-2-nonylimidazolidine;hydroiodide
SMILESCCCCCCCCCC1N(C)CCN1C.I
InChIInChI=1S/C14H30N2.HI/c1-4-5-6-7-8-9-10-11-14-15(2)12-13-16(14)3;/h14H,4-13H2,1-3H3;1H
InChIKeyOGPRNSWAWMNNIR-UHFFFAOYSA-N
XLogP3.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptadecyl-1-methyl-3-propylimidazolidine
CID 175060590
2-heptadecyl-1-icosan-3-yl-3-methylimidazolidine;hydrochloride
CID 173344833
1-methyl-3-octadecan-3-yl-2-pentadecylimidazolidine;hydrochloride
CID 173344905
2-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
3-butyl-2-dodecylimidazolidin-1-amine
CID 19994298
1-methyl-2-tetradecylpyrrolidine
CID 24796983
2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
CID 57356059
2-dodecyl-1-hexadecyl-3-octyl-2H-imidazole
CID 69388717
2-heptadecyl-1-nonyl-3-tridecyl-2H-imidazole
CID 69388651
1-hexyl-3-octadecyl-2-tridecyl-2H-imidazole
CID 69396369
2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
CID 69390682

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-nonylimidazolidine;hydroiodide?
The IUPAC name of 1,3-dimethyl-2-nonylimidazolidine;hydroiodide (CID 173458444) is 1,3-dimethyl-2-nonylimidazolidine;hydroiodide.
What is the SMILES notation for 1,3-dimethyl-2-nonylimidazolidine;hydroiodide?
The canonical SMILES for 1,3-dimethyl-2-nonylimidazolidine;hydroiodide is CCCCCCCCCC1N(C)CCN1C.I.
What is the InChIKey of 1,3-dimethyl-2-nonylimidazolidine;hydroiodide?
The InChIKey is OGPRNSWAWMNNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2.HI/c1-4-5-6-7-8-9-10-11-14-15(2)12-13-16(14)3;/h14H,4-13H2,1-3H3;1H.
What are the key properties of 1,3-dimethyl-2-nonylimidazolidine;hydroiodide?
1,3-dimethyl-2-nonylimidazolidine;hydroiodide has a molecular weight of 354.32 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-nonylimidazolidine;hydroiodide is sourced from PubChem (CID 173458444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).