N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide

C9H19N3O2 — CID 103534612

IUPACN'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CC(OC)C(OC)C1
InChIInChI=1S/C9H19N3O2/c1-4-11-9(10)12-5-7(13-2)8(6-12)14-3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyRYVUHKFKSGJJJC-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.33
Rot. Bonds3

About N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide

N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide (PubChem CID 103534612) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide
PubChem CID103534612
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CC(OC)C(OC)C1
InChIInChI=1S/C9H19N3O2/c1-4-11-9(10)12-5-7(13-2)8(6-12)14-3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyRYVUHKFKSGJJJC-UHFFFAOYSA-N
XLogP-0.33
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.33
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 N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide (CID 103534612) is N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide is CC/N=C(\N)N1CC(OC)C(OC)C1.
What is the InChIKey of N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The InChIKey is RYVUHKFKSGJJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-11-9(10)12-5-7(13-2)8(6-12)14-3/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide has a molecular weight of 201.27 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).