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

C7H16N4O2 — CID 103534614

IUPACN'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(C(N)=NN)CC1OC
InChIInChI=1S/C7H16N4O2/c1-12-5-3-11(7(8)10-9)4-6(5)13-2/h5-6H,3-4,9H2,1-2H3,(H2,8,10)
InChIKeyMNAUNWVCJIBZQM-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.48
Rot. Bonds2

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

N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide (PubChem CID 103534614) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide
PubChem CID103534614
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC NameN'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(C(N)=NN)CC1OC
InChIInChI=1S/C7H16N4O2/c1-12-5-3-11(7(8)10-9)4-6(5)13-2/h5-6H,3-4,9H2,1-2H3,(H2,8,10)
InChIKeyMNAUNWVCJIBZQM-UHFFFAOYSA-N
XLogP-1.48
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-3-methoxypyrrolidine-1-carboximidamide
CID 103534601
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'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534612
3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103534613
3,4-Dimethoxypyrrolidine-1-carboximidamide
CID 103534615
N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103540014
N-amino-3,4-dimethoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542276
N-amino-3,4-dimethoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103542277
N-amino-3,4-dimethoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103542278

Frequently Asked Questions

What is the IUPAC name of N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide (CID 103534614) is N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide is COC1CN(C(N)=NN)CC1OC.
What is the InChIKey of N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide?
The InChIKey is MNAUNWVCJIBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-12-5-3-11(7(8)10-9)4-6(5)13-2/h5-6H,3-4,9H2,1-2H3,(H2,8,10).
What are the key properties of N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide?
N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide has a molecular weight of 188.23 g/mol, XLogP of -1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).