3-methoxy-N'-methylpyrrolidine-1-carboximidamide

C7H15N3O — CID 103534592

IUPAC3-methoxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(OC)C1
InChIInChI=1S/C7H15N3O/c1-9-7(8)10-4-3-6(5-10)11-2/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyHBERNEKFXSVABQ-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.35
Rot. Bonds1

About 3-methoxy-N'-methylpyrrolidine-1-carboximidamide

3-methoxy-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 103534592) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methoxy-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N'-methylpyrrolidine-1-carboximidamide
PubChem CID103534592
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-methoxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(OC)C1
InChIInChI=1S/C7H15N3O/c1-9-7(8)10-4-3-6(5-10)11-2/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyHBERNEKFXSVABQ-UHFFFAOYSA-N
XLogP-0.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-methoxy-N'-methylpyrrolidine-1-carboximidamide 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-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89374635
(3S)-3-methoxypyrrolidine-1-carboximidamide
CID 89794542
(3R)-3-methoxypyrrolidine-1-carboximidamide
CID 89794543
3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
CID 123840537
(3R)-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 131128484
N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide
CID 137434806
(3-Methoxypyrrolidin-1-yl)methanediamine
CID 166901507
(3-Methoxypyrrolidin-1-yl)methanamine
CID 166901786
3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534593
N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide
CID 103534594
3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534595
N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534596

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-methoxy-N'-methylpyrrolidine-1-carboximidamide (CID 103534592) is 3-methoxy-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\N)N1CCC(OC)C1.
What is the InChIKey of 3-methoxy-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is HBERNEKFXSVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-9-7(8)10-4-3-6(5-10)11-2/h6H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of 3-methoxy-N'-methylpyrrolidine-1-carboximidamide?
3-methoxy-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).