3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide

C8H17N3O2 — CID 103534605

IUPAC3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CC(OC)C(OC)C1
InChIInChI=1S/C8H17N3O2/c1-10-8(9)11-4-6(12-2)7(5-11)13-3/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyQCWPUUAPPWDKQY-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.72
Rot. Bonds2

About 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide

3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 103534605) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
PubChem CID103534605
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CC(OC)C(OC)C1
InChIInChI=1S/C8H17N3O2/c1-10-8(9)11-4-6(12-2)7(5-11)13-3/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyQCWPUUAPPWDKQY-UHFFFAOYSA-N
XLogP-0.72
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
CID 123840537
N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide
CID 137434806
1-[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]ethanamine
CID 166901738
N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine
CID 14268559
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
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
N'-ethyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534599
3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103534600
N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534604

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide (CID 103534605) is 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\N)N1CC(OC)C(OC)C1.
What is the InChIKey of 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is QCWPUUAPPWDKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-8(9)11-4-6(12-2)7(5-11)13-3/h6-7H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide?
3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 187.24 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).