1-bromo-5,5-dimethylimidazolidine

C5H11BrN2 — CID 151201573

IUPAC1-bromo-5,5-dimethylimidazolidine
SMILESCC1(C)CNCN1Br
InChIInChI=1S/C5H11BrN2/c1-5(2)3-7-4-8(5)6/h7H,3-4H2,1-2H3
InChIKeyNIKMKJWVWJONDY-UHFFFAOYSA-N
MW179.06 g/mol
LogP0.94
Rot. Bonds

About 1-bromo-5,5-dimethylimidazolidine

1-bromo-5,5-dimethylimidazolidine (PubChem CID 151201573) has the molecular formula C5H11BrN2 and a molecular weight of 179.06 g/mol. Its IUPAC name is 1-bromo-5,5-dimethylimidazolidine.

Molecular Properties

Compound Name1-bromo-5,5-dimethylimidazolidine
PubChem CID151201573
Molecular FormulaC5H11BrN2
Molecular Weight179.06 g/mol
Exact Mass178.01
IUPAC Name1-bromo-5,5-dimethylimidazolidine
SMILESCC1(C)CNCN1Br
InChIInChI=1S/C5H11BrN2/c1-5(2)3-7-4-8(5)6/h7H,3-4H2,1-2H3
InChIKeyNIKMKJWVWJONDY-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,5-dimethylimidazolidine?
The IUPAC name of 1-bromo-5,5-dimethylimidazolidine (CID 151201573) is 1-bromo-5,5-dimethylimidazolidine.
What is the SMILES notation for 1-bromo-5,5-dimethylimidazolidine?
The canonical SMILES for 1-bromo-5,5-dimethylimidazolidine is CC1(C)CNCN1Br.
What is the InChIKey of 1-bromo-5,5-dimethylimidazolidine?
The InChIKey is NIKMKJWVWJONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrN2/c1-5(2)3-7-4-8(5)6/h7H,3-4H2,1-2H3.
What are the key properties of 1-bromo-5,5-dimethylimidazolidine?
1-bromo-5,5-dimethylimidazolidine has a molecular weight of 179.06 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,5-dimethylimidazolidine is sourced from PubChem (CID 151201573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).