(2S)-1,2-dimethylimidazolidine

C5H12N2 — CID 89259433

IUPAC(2S)-1,2-dimethylimidazolidine
SMILESC[C@H]1NCCN1C
InChIInChI=1S/C5H12N2/c1-5-6-3-4-7(5)2/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyBROQXILFDWZSAC-YFKPBYRVSA-N
MW100.17 g/mol
LogP-0.13
Rot. Bonds

About (2S)-1,2-dimethylimidazolidine

(2S)-1,2-dimethylimidazolidine (PubChem CID 89259433) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is (2S)-1,2-dimethylimidazolidine.

Molecular Properties

Compound Name(2S)-1,2-dimethylimidazolidine
PubChem CID89259433
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Name(2S)-1,2-dimethylimidazolidine
SMILESC[C@H]1NCCN1C
InChIInChI=1S/C5H12N2/c1-5-6-3-4-7(5)2/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyBROQXILFDWZSAC-YFKPBYRVSA-N
XLogP-0.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethylimidazolidine?
The IUPAC name of (2S)-1,2-dimethylimidazolidine (CID 89259433) is (2S)-1,2-dimethylimidazolidine.
What is the SMILES notation for (2S)-1,2-dimethylimidazolidine?
The canonical SMILES for (2S)-1,2-dimethylimidazolidine is C[C@H]1NCCN1C.
What is the InChIKey of (2S)-1,2-dimethylimidazolidine?
The InChIKey is BROQXILFDWZSAC-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2/c1-5-6-3-4-7(5)2/h5-6H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-1,2-dimethylimidazolidine?
(2S)-1,2-dimethylimidazolidine has a molecular weight of 100.17 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethylimidazolidine is sourced from PubChem (CID 89259433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).