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

C12H23N3O2 — CID 103534610

IUPACN'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C2CCCC2)CC1OC
InChIInChI=1S/C12H23N3O2/c1-16-10-7-15(8-11(10)17-2)12(13)14-9-5-3-4-6-9/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyXMDINQVYODXFAR-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.59
Rot. Bonds3

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

N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide (PubChem CID 103534610) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide
PubChem CID103534610
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C2CCCC2)CC1OC
InChIInChI=1S/C12H23N3O2/c1-16-10-7-15(8-11(10)17-2)12(13)14-9-5-3-4-6-9/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyXMDINQVYODXFAR-UHFFFAOYSA-N
XLogP0.59
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.59
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 N'-cyclopentyl-3,4-dimethoxypyrrolidine-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

2-Cyclopentyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62361861
2-Cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine
CID 78967147
2-Cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine
CID 82740356
N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534596
N'-cyclopentyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534597
3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103534600
N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534602
3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534605
3,4-dimethoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534606
N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534607
3,4-dimethoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534608
N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534609

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide (CID 103534610) is N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide is COC1CN(/C(N)=N/C2CCCC2)CC1OC.
What is the InChIKey of N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The InChIKey is XMDINQVYODXFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-16-10-7-15(8-11(10)17-2)12(13)14-9-5-3-4-6-9/h9-11H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide has a molecular weight of 241.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).