2-heptadecyl-1-octadecyl-3-propylimidazolidine

C41H84N2 — CID 20661967

IUPAC2-heptadecyl-1-octadecyl-3-propylimidazolidine
SMILESCCCCCCCCCCCCCCCCCCN1CCN(CCC)C1CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H84N2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-43-40-39-42(37-6-3)41(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h41H,4-40H2,1-3H3
InChIKeyKRCHADMEMDGZKZ-UHFFFAOYSA-N
MW605.14 g/mol
LogP13.86
Rot. Bonds35

About 2-heptadecyl-1-octadecyl-3-propylimidazolidine

2-heptadecyl-1-octadecyl-3-propylimidazolidine (PubChem CID 20661967) has the molecular formula C41H84N2 and a molecular weight of 605.14 g/mol. Its IUPAC name is 2-heptadecyl-1-octadecyl-3-propylimidazolidine.

Molecular Properties

Compound Name2-heptadecyl-1-octadecyl-3-propylimidazolidine
PubChem CID20661967
Molecular FormulaC41H84N2
Molecular Weight605.14 g/mol
Exact Mass604.66
IUPAC Name2-heptadecyl-1-octadecyl-3-propylimidazolidine
SMILESCCCCCCCCCCCCCCCCCCN1CCN(CCC)C1CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H84N2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-43-40-39-42(37-6-3)41(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h41H,4-40H2,1-3H3
InChIKeyKRCHADMEMDGZKZ-UHFFFAOYSA-N
XLogP13.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.14
LogP ≤ 513.86
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

2-heptadecyl-1-methyl-3-propylimidazolidine
CID 175060590
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
3-butyl-2-dodecylimidazolidin-1-amine
CID 19994298
2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
CID 57356059
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
CID 19599074
2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
CID 3023627
2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
CID 172998925
1,3-dimethyl-2-nonylimidazolidine;hydroiodide
CID 173458444
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 6437254
2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]ethyl tetradecanoate
CID 122673108
1-propyl-2,3-di(tridecyl)-2H-imidazole
CID 69395493
2-heptyl-1-propyl-3-undecyl-2H-imidazole
CID 69389082

Frequently Asked Questions

What is the IUPAC name of 2-heptadecyl-1-octadecyl-3-propylimidazolidine?
The IUPAC name of 2-heptadecyl-1-octadecyl-3-propylimidazolidine (CID 20661967) is 2-heptadecyl-1-octadecyl-3-propylimidazolidine.
What is the SMILES notation for 2-heptadecyl-1-octadecyl-3-propylimidazolidine?
The canonical SMILES for 2-heptadecyl-1-octadecyl-3-propylimidazolidine is CCCCCCCCCCCCCCCCCCN1CCN(CCC)C1CCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-heptadecyl-1-octadecyl-3-propylimidazolidine?
The InChIKey is KRCHADMEMDGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H84N2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-43-40-39-42(37-6-3)41(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h41H,4-40H2,1-3H3.
What are the key properties of 2-heptadecyl-1-octadecyl-3-propylimidazolidine?
2-heptadecyl-1-octadecyl-3-propylimidazolidine has a molecular weight of 605.14 g/mol, XLogP of 13.86, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-1-octadecyl-3-propylimidazolidine is sourced from PubChem (CID 20661967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).