4-(azidomethyl)-1,3,5-trimethylimidazolidine

C7H15N5 — CID 59782486

IUPAC4-(azidomethyl)-1,3,5-trimethylimidazolidine
SMILESCC1C(CN=[N+]=[N-])N(C)CN1C
InChIInChI=1S/C7H15N5/c1-6-7(4-9-10-8)12(3)5-11(6)2/h6-7H,4-5H2,1-3H3
InChIKeyIAGOOERBYYNHSK-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.89
Rot. Bonds2

About 4-(azidomethyl)-1,3,5-trimethylimidazolidine

4-(azidomethyl)-1,3,5-trimethylimidazolidine (PubChem CID 59782486) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(azidomethyl)-1,3,5-trimethylimidazolidine.

Molecular Properties

Compound Name4-(azidomethyl)-1,3,5-trimethylimidazolidine
PubChem CID59782486
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name4-(azidomethyl)-1,3,5-trimethylimidazolidine
SMILESCC1C(CN=[N+]=[N-])N(C)CN1C
InChIInChI=1S/C7H15N5/c1-6-7(4-9-10-8)12(3)5-11(6)2/h6-7H,4-5H2,1-3H3
InChIKeyIAGOOERBYYNHSK-UHFFFAOYSA-N
XLogP0.89
TPSA55.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1,3,5-trimethylimidazolidine?
The IUPAC name of 4-(azidomethyl)-1,3,5-trimethylimidazolidine (CID 59782486) is 4-(azidomethyl)-1,3,5-trimethylimidazolidine.
What is the SMILES notation for 4-(azidomethyl)-1,3,5-trimethylimidazolidine?
The canonical SMILES for 4-(azidomethyl)-1,3,5-trimethylimidazolidine is CC1C(CN=[N+]=[N-])N(C)CN1C.
What is the InChIKey of 4-(azidomethyl)-1,3,5-trimethylimidazolidine?
The InChIKey is IAGOOERBYYNHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-6-7(4-9-10-8)12(3)5-11(6)2/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-(azidomethyl)-1,3,5-trimethylimidazolidine?
4-(azidomethyl)-1,3,5-trimethylimidazolidine has a molecular weight of 169.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1,3,5-trimethylimidazolidine is sourced from PubChem (CID 59782486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).