(4S,5S)-4,5-dimethylimidazolidine

C5H12N2 — CID 55299832

IUPAC(4S,5S)-4,5-dimethylimidazolidine
SMILESC[C@@H]1NCN[C@H]1C
InChIInChI=1S/C5H12N2/c1-4-5(2)7-3-6-4/h4-7H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyHSYZXEGREXPLBS-WHFBIAKZSA-N
MW100.17 g/mol
LogP-0.09
Rot. Bonds

About (4S,5S)-4,5-dimethylimidazolidine

(4S,5S)-4,5-dimethylimidazolidine (PubChem CID 55299832) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is (4S,5S)-4,5-dimethylimidazolidine.

Molecular Properties

Compound Name(4S,5S)-4,5-dimethylimidazolidine
PubChem CID55299832
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Name(4S,5S)-4,5-dimethylimidazolidine
SMILESC[C@@H]1NCN[C@H]1C
InChIInChI=1S/C5H12N2/c1-4-5(2)7-3-6-4/h4-7H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyHSYZXEGREXPLBS-WHFBIAKZSA-N
XLogP-0.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dimethylimidazolidine?
The IUPAC name of (4S,5S)-4,5-dimethylimidazolidine (CID 55299832) is (4S,5S)-4,5-dimethylimidazolidine.
What is the SMILES notation for (4S,5S)-4,5-dimethylimidazolidine?
The canonical SMILES for (4S,5S)-4,5-dimethylimidazolidine is C[C@@H]1NCN[C@H]1C.
What is the InChIKey of (4S,5S)-4,5-dimethylimidazolidine?
The InChIKey is HSYZXEGREXPLBS-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-5(2)7-3-6-4/h4-7H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (4S,5S)-4,5-dimethylimidazolidine?
(4S,5S)-4,5-dimethylimidazolidine has a molecular weight of 100.17 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dimethylimidazolidine is sourced from PubChem (CID 55299832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).