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

C10H19N3O2 — CID 103534609

IUPACN'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C2CC2)CC1OC
InChIInChI=1S/C10H19N3O2/c1-14-8-5-13(6-9(8)15-2)10(11)12-7-3-4-7/h7-9H,3-6H2,1-2H3,(H2,11,12)
InChIKeyMZBQXSRSQYDGSG-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.19
Rot. Bonds3

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

N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide (PubChem CID 103534609) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide
PubChem CID103534609
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(/C(N)=N/C2CC2)CC1OC
InChIInChI=1S/C10H19N3O2/c1-14-8-5-13(6-9(8)15-2)10(11)12-7-3-4-7/h7-9H,3-6H2,1-2H3,(H2,11,12)
InChIKeyMZBQXSRSQYDGSG-UHFFFAOYSA-N
XLogP-0.19
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.19
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

2-Cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62362349
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'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534604
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'-cyclopentyl-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534610

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide (CID 103534609) is N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide is COC1CN(/C(N)=N/C2CC2)CC1OC.
What is the InChIKey of N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
The InChIKey is MZBQXSRSQYDGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-14-8-5-13(6-9(8)15-2)10(11)12-7-3-4-7/h7-9H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide?
N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide has a molecular weight of 213.28 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3,4-dimethoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).