2-heptadecyl-1-methyl-3-propylimidazolidine

C24H50N2 — CID 175060590

IUPAC2-heptadecyl-1-methyl-3-propylimidazolidine
SMILESCCCCCCCCCCCCCCCCCC1N(C)CCN1CCC
InChIInChI=1S/C24H50N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(3)22-23-26(24)21-5-2/h24H,4-23H2,1-3H3
InChIKeyGZRABVLFDMLBNP-UHFFFAOYSA-N
MW366.68 g/mol
LogP7.23
Rot. Bonds18

About 2-heptadecyl-1-methyl-3-propylimidazolidine

2-heptadecyl-1-methyl-3-propylimidazolidine (PubChem CID 175060590) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 2-heptadecyl-1-methyl-3-propylimidazolidine.

Molecular Properties

Compound Name2-heptadecyl-1-methyl-3-propylimidazolidine
PubChem CID175060590
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC Name2-heptadecyl-1-methyl-3-propylimidazolidine
SMILESCCCCCCCCCCCCCCCCCC1N(C)CCN1CCC
InChIInChI=1S/C24H50N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(3)22-23-26(24)21-5-2/h24H,4-23H2,1-3H3
InChIKeyGZRABVLFDMLBNP-UHFFFAOYSA-N
XLogP7.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 57.23
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-octadecyl-3-propylimidazolidine
CID 20661967
1,3-dimethyl-2-nonylimidazolidine;hydroiodide
CID 173458444
3-butyl-2-dodecylimidazolidin-1-amine
CID 19994298
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
CID 57356059
2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
CID 3023627
2-heptadecyl-1-icosan-3-yl-3-methylimidazolidine;hydrochloride
CID 173344833
2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
CID 172998925
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
CID 19599074
1-methyl-3-octadecan-3-yl-2-pentadecylimidazolidine;hydrochloride
CID 173344905
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

Frequently Asked Questions

What is the IUPAC name of 2-heptadecyl-1-methyl-3-propylimidazolidine?
The IUPAC name of 2-heptadecyl-1-methyl-3-propylimidazolidine (CID 175060590) is 2-heptadecyl-1-methyl-3-propylimidazolidine.
What is the SMILES notation for 2-heptadecyl-1-methyl-3-propylimidazolidine?
The canonical SMILES for 2-heptadecyl-1-methyl-3-propylimidazolidine is CCCCCCCCCCCCCCCCCC1N(C)CCN1CCC.
What is the InChIKey of 2-heptadecyl-1-methyl-3-propylimidazolidine?
The InChIKey is GZRABVLFDMLBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(3)22-23-26(24)21-5-2/h24H,4-23H2,1-3H3.
What are the key properties of 2-heptadecyl-1-methyl-3-propylimidazolidine?
2-heptadecyl-1-methyl-3-propylimidazolidine has a molecular weight of 366.68 g/mol, XLogP of 7.23, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-1-methyl-3-propylimidazolidine is sourced from PubChem (CID 175060590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).