2-(azidomethyl)-1,3-dimethylpyrrolidine

C7H14N4 — CID 58841086

IUPAC2-(azidomethyl)-1,3-dimethylpyrrolidine
SMILESCC1CCN(C)C1CN=[N+]=[N-]
InChIInChI=1S/C7H14N4/c1-6-3-4-11(2)7(6)5-9-10-8/h6-7H,3-5H2,1-2H3
InChIKeyTWVMLQQBBCWFEA-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.64
Rot. Bonds2

About 2-(azidomethyl)-1,3-dimethylpyrrolidine

2-(azidomethyl)-1,3-dimethylpyrrolidine (PubChem CID 58841086) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-(azidomethyl)-1,3-dimethylpyrrolidine.

Molecular Properties

Compound Name2-(azidomethyl)-1,3-dimethylpyrrolidine
PubChem CID58841086
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-(azidomethyl)-1,3-dimethylpyrrolidine
SMILESCC1CCN(C)C1CN=[N+]=[N-]
InChIInChI=1S/C7H14N4/c1-6-3-4-11(2)7(6)5-9-10-8/h6-7H,3-5H2,1-2H3
InChIKeyTWVMLQQBBCWFEA-UHFFFAOYSA-N
XLogP1.64
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(azidomethyl)-1,3-dimethylpyrrolidine?
The IUPAC name of 2-(azidomethyl)-1,3-dimethylpyrrolidine (CID 58841086) is 2-(azidomethyl)-1,3-dimethylpyrrolidine.
What is the SMILES notation for 2-(azidomethyl)-1,3-dimethylpyrrolidine?
The canonical SMILES for 2-(azidomethyl)-1,3-dimethylpyrrolidine is CC1CCN(C)C1CN=[N+]=[N-].
What is the InChIKey of 2-(azidomethyl)-1,3-dimethylpyrrolidine?
The InChIKey is TWVMLQQBBCWFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6-3-4-11(2)7(6)5-9-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(azidomethyl)-1,3-dimethylpyrrolidine?
2-(azidomethyl)-1,3-dimethylpyrrolidine has a molecular weight of 154.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1,3-dimethylpyrrolidine is sourced from PubChem (CID 58841086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).