4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine

C7H13N5O — CID 142628210

IUPAC4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine
SMILESCON=C1CNCC1(C)CN=[N+]=[N-]
InChIInChI=1S/C7H13N5O/c1-7(5-10-12-8)4-9-3-6(7)11-13-2/h9H,3-5H2,1-2H3
InChIKeyREWWEBUJEMNDLH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.91
Rot. Bonds3

About 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine

4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine (PubChem CID 142628210) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine.

Molecular Properties

Compound Name4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine
PubChem CID142628210
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine
SMILESCON=C1CNCC1(C)CN=[N+]=[N-]
InChIInChI=1S/C7H13N5O/c1-7(5-10-12-8)4-9-3-6(7)11-13-2/h9H,3-5H2,1-2H3
InChIKeyREWWEBUJEMNDLH-UHFFFAOYSA-N
XLogP0.91
TPSA82.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol
CID 123988142
(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride
CID 53305610
5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one
CID 118272400
methyl 1-(azidomethyl)cyclopropane-1-carboxylate
CID 129243283
4-ethoxyimino-3-methylpyrrolidin-3-amine
CID 141348399
2-(azidomethyl)-2,3-dimethyloxirane
CID 118438961
2-(azidomethyl)-2,5-dimethyl-1,3-dioxane
CID 150809746
3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate
CID 174792112
(3aR,7aR)-7a-(azidomethyl)-2,2-dimethyl-4,5,6,7-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 118329687
4-(methoxymethyl)-4-methyl-2,3-dihydro-1H-isoquinolin-7-amine
CID 163217063
ethyl 1-(azidomethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 11435544
3-(azidomethyl)-3-methanimidoylpiperidin-4-one
CID 121325999

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine?
The IUPAC name of 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine (CID 142628210) is 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine.
What is the SMILES notation for 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine?
The canonical SMILES for 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine is CON=C1CNCC1(C)CN=[N+]=[N-].
What is the InChIKey of 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine?
The InChIKey is REWWEBUJEMNDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-7(5-10-12-8)4-9-3-6(7)11-13-2/h9H,3-5H2,1-2H3.
What are the key properties of 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine?
4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine has a molecular weight of 183.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine is sourced from PubChem (CID 142628210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).