4-amino-2,2-dimethylimidazolidin-4-ol

C5H13N3O — CID 69342192

IUPAC4-amino-2,2-dimethylimidazolidin-4-ol
SMILESCC1(C)NCC(N)(O)N1
InChIInChI=1S/C5H13N3O/c1-4(2)7-3-5(6,9)8-4/h7-9H,3,6H2,1-2H3
InChIKeyDBOPLSMUDVFPCV-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.48
Rot. Bonds

About 4-amino-2,2-dimethylimidazolidin-4-ol

4-amino-2,2-dimethylimidazolidin-4-ol (PubChem CID 69342192) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-amino-2,2-dimethylimidazolidin-4-ol.

Molecular Properties

Compound Name4-amino-2,2-dimethylimidazolidin-4-ol
PubChem CID69342192
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name4-amino-2,2-dimethylimidazolidin-4-ol
SMILESCC1(C)NCC(N)(O)N1
InChIInChI=1S/C5H13N3O/c1-4(2)7-3-5(6,9)8-4/h7-9H,3,6H2,1-2H3
InChIKeyDBOPLSMUDVFPCV-UHFFFAOYSA-N
XLogP-1.48
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethylimidazolidin-4-ol?
The IUPAC name of 4-amino-2,2-dimethylimidazolidin-4-ol (CID 69342192) is 4-amino-2,2-dimethylimidazolidin-4-ol.
What is the SMILES notation for 4-amino-2,2-dimethylimidazolidin-4-ol?
The canonical SMILES for 4-amino-2,2-dimethylimidazolidin-4-ol is CC1(C)NCC(N)(O)N1.
What is the InChIKey of 4-amino-2,2-dimethylimidazolidin-4-ol?
The InChIKey is DBOPLSMUDVFPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4(2)7-3-5(6,9)8-4/h7-9H,3,6H2,1-2H3.
What are the key properties of 4-amino-2,2-dimethylimidazolidin-4-ol?
4-amino-2,2-dimethylimidazolidin-4-ol has a molecular weight of 131.18 g/mol, XLogP of -1.48, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethylimidazolidin-4-ol is sourced from PubChem (CID 69342192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).