3,5-dimethylimidazolidin-4-imine

C5H11N3 — CID 89073031

IUPAC3,5-dimethylimidazolidin-4-imine
SMILES[H]/N=C1/C(C)NCN1C
InChIInChI=1S/C5H11N3/c1-4-5(6)8(2)3-7-4/h4,6-7H,3H2,1-2H3/b6-5-
InChIKeyRPYVNXNGZCZPDH-WAYWQWQTSA-N
MW113.16 g/mol
LogP-0.16
Rot. Bonds

About 3,5-dimethylimidazolidin-4-imine

3,5-dimethylimidazolidin-4-imine (PubChem CID 89073031) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 3,5-dimethylimidazolidin-4-imine.

Molecular Properties

Compound Name3,5-dimethylimidazolidin-4-imine
PubChem CID89073031
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name3,5-dimethylimidazolidin-4-imine
SMILES[H]/N=C1/C(C)NCN1C
InChIInChI=1S/C5H11N3/c1-4-5(6)8(2)3-7-4/h4,6-7H,3H2,1-2H3/b6-5-
InChIKeyRPYVNXNGZCZPDH-WAYWQWQTSA-N
XLogP-0.16
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylimidazolidin-4-imine?
The IUPAC name of 3,5-dimethylimidazolidin-4-imine (CID 89073031) is 3,5-dimethylimidazolidin-4-imine.
What is the SMILES notation for 3,5-dimethylimidazolidin-4-imine?
The canonical SMILES for 3,5-dimethylimidazolidin-4-imine is [H]/N=C1/C(C)NCN1C.
What is the InChIKey of 3,5-dimethylimidazolidin-4-imine?
The InChIKey is RPYVNXNGZCZPDH-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H11N3/c1-4-5(6)8(2)3-7-4/h4,6-7H,3H2,1-2H3/b6-5-.
What are the key properties of 3,5-dimethylimidazolidin-4-imine?
3,5-dimethylimidazolidin-4-imine has a molecular weight of 113.16 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylimidazolidin-4-imine is sourced from PubChem (CID 89073031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).