3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide

C10H21N3O2 — CID 103534613

IUPAC3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C(C)C)CC1OC
InChIInChI=1S/C10H21N3O2/c1-7(2)12-10(11)13-5-8(14-3)9(6-13)15-4/h7-9H,5-6H2,1-4H3,(H2,11,12)
InChIKeyUMKUMCCDIAVTME-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.06
Rot. Bonds3

About 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide

3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide (PubChem CID 103534613) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
PubChem CID103534613
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C(C)C)CC1OC
InChIInChI=1S/C10H21N3O2/c1-7(2)12-10(11)13-5-8(14-3)9(6-13)15-4/h7-9H,5-6H2,1-4H3,(H2,11,12)
InChIKeyUMKUMCCDIAVTME-UHFFFAOYSA-N
XLogP0.06
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.06
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'}

Analyze 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-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

N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine
CID 14268559
1-(2-Methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine
CID 62362348
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534593
3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534595
N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534596
N'-cyclopentyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534597
N'-ethyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534599
3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103534600
N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534602
N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534604
3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534605

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The IUPAC name of 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide (CID 103534613) is 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide is COC1CN(/C(N)=N/C(C)C)CC1OC.
What is the InChIKey of 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The InChIKey is UMKUMCCDIAVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(2)12-10(11)13-5-8(14-3)9(6-13)15-4/h7-9H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide has a molecular weight of 215.30 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).