1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate

C9H21BF4N2 — CID 174610803

IUPAC1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate
SMILESCC(C)N1CCN(C(C)C)C1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C9H20N2.BF4/c1-8(2)10-5-6-11(7-10)9(3)4;2-1(3,4)5/h8-9H,5-7H2,1-4H3;/q;-1/p+1
InChIKeyQOFLMGQQJAIALX-UHFFFAOYSA-O
MW244.09 g/mol
LogP2.79
Rot. Bonds2

About 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate

1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate (PubChem CID 174610803) has the molecular formula C9H21BF4N2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate.

Molecular Properties

Compound Name1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate
PubChem CID174610803
Molecular FormulaC9H21BF4N2
Molecular Weight244.09 g/mol
Exact Mass244.17
IUPAC Name1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate
SMILESCC(C)N1CCN(C(C)C)C1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C9H20N2.BF4/c1-8(2)10-5-6-11(7-10)9(3)4;2-1(3,4)5/h8-9H,5-7H2,1-4H3;/q;-1/p+1
InChIKeyQOFLMGQQJAIALX-UHFFFAOYSA-O
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-3-propan-2-ylimidazolidine
CID 134599258
potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide
CID 63702527
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane
CID 15402375
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-fluoro-4-propan-2-yl-1,4-diazepane
CID 155701545
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583
1,3-di(propan-2-yl)-1,3,5-triazinane
CID 155613866
1-[1-(aziridin-1-yl)ethyl]aziridine
CID 175406803
ethane;1-propan-2-ylpyrrolidine
CID 167557798
1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron
CID 175286137

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate?
The IUPAC name of 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate (CID 174610803) is 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate.
What is the SMILES notation for 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate?
The canonical SMILES for 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate is CC(C)N1CCN(C(C)C)C1.F[B-](F)(F)F.[H+].
What is the InChIKey of 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate?
The InChIKey is QOFLMGQQJAIALX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H20N2.BF4/c1-8(2)10-5-6-11(7-10)9(3)4;2-1(3,4)5/h8-9H,5-7H2,1-4H3;/q;-1/p+1.
What are the key properties of 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate?
1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate has a molecular weight of 244.09 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate is sourced from PubChem (CID 174610803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).