N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid

C10H22F3N3O3S — CID 171930476

IUPACN,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid
SMILESCCN(CC)C1N(C)CCN1C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C9H21N3.CHF3O3S/c1-5-12(6-2)9-10(3)7-8-11(9)4;2-1(3,4)8(5,6)7/h9H,5-8H2,1-4H3;(H,5,6,7)
InChIKeyNWRUYZFPTCHVRF-UHFFFAOYSA-N
MW321.37 g/mol
LogP0.88
Rot. Bonds3

About N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid

N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid (PubChem CID 171930476) has the molecular formula C10H22F3N3O3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid.

Molecular Properties

Compound NameN,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid
PubChem CID171930476
Molecular FormulaC10H22F3N3O3S
Molecular Weight321.37 g/mol
Exact Mass321.13
IUPAC NameN,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid
SMILESCCN(CC)C1N(C)CCN1C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C9H21N3.CHF3O3S/c1-5-12(6-2)9-10(3)7-8-11(9)4;2-1(3,4)8(5,6)7/h9H,5-8H2,1-4H3;(H,5,6,7)
InChIKeyNWRUYZFPTCHVRF-UHFFFAOYSA-N
XLogP0.88
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid?
The IUPAC name of N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid (CID 171930476) is N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid.
What is the SMILES notation for N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid?
The canonical SMILES for N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid is CCN(CC)C1N(C)CCN1C.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid?
The InChIKey is NWRUYZFPTCHVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.CHF3O3S/c1-5-12(6-2)9-10(3)7-8-11(9)4;2-1(3,4)8(5,6)7/h9H,5-8H2,1-4H3;(H,5,6,7).
What are the key properties of N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid?
N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid has a molecular weight of 321.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,3-dimethylimidazolidin-2-amine;trifluoromethanesulfonic acid is sourced from PubChem (CID 171930476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).