1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate

C8H19BF4N2 — CID 141103031

IUPAC1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate
SMILESCCCN1CC[NH+](C)C1C.F[B-](F)(F)F
InChIInChI=1S/C8H18N2.BF4/c1-4-5-10-7-6-9(3)8(10)2;2-1(3,4)5/h8H,4-7H2,1-3H3;/q;-1/p+1
InChIKeyRMKWPWGVIVJWGV-UHFFFAOYSA-O
MW230.06 g/mol
LogP0.87
Rot. Bonds2

About 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate

1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate (PubChem CID 141103031) has the molecular formula C8H19BF4N2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate
PubChem CID141103031
Molecular FormulaC8H19BF4N2
Molecular Weight230.06 g/mol
Exact Mass230.16
IUPAC Name1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate
SMILESCCCN1CC[NH+](C)C1C.F[B-](F)(F)F
InChIInChI=1S/C8H18N2.BF4/c1-4-5-10-7-6-9(3)8(10)2;2-1(3,4)5/h8H,4-7H2,1-3H3;/q;-1/p+1
InChIKeyRMKWPWGVIVJWGV-UHFFFAOYSA-O
XLogP0.87
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethyl-1,3-diazinan-1-ium tetrafluoroborate
CID 87115116
(2S,3R)-2-methyl-1-propylpyrrolidin-3-ol
CID 130813850
1-butyl-2,3-dimethylpyrrolidine
CID 123853646
4-methyl-1-propylpiperazin-2-amine
CID 70503561
2-fluoro-1,3-dimethylimidazolidin-1-ium;hexane-1-sulfonate
CID 87665881
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
4-propyl-1,4-diazabicyclo[3.1.0]hexane
CID 89356558
2-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967
(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane
CID 146942444
1-ethyl-2,3-dimethylimidazolidin-1-ium fluoride
CID 67177762
1-butyl-2,3-dimethylimidazolidine;hydrochloride
CID 174751170
5-methyl-1-propylimidazolidine
CID 154216085

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate?
The IUPAC name of 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate (CID 141103031) is 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate?
The canonical SMILES for 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate is CCCN1CC[NH+](C)C1C.F[B-](F)(F)F.
What is the InChIKey of 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate?
The InChIKey is RMKWPWGVIVJWGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2.BF4/c1-4-5-10-7-6-9(3)8(10)2;2-1(3,4)5/h8H,4-7H2,1-3H3;/q;-1/p+1.
What are the key properties of 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate?
1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate has a molecular weight of 230.06 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-propylimidazolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 141103031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).