N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide

C8H18N4O2 — CID 103542279

IUPACN-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(OC)C(OC)C1
InChIInChI=1S/C8H18N4O2/c1-10-8(11-9)12-4-6(13-2)7(5-12)14-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOVXZFFPQAUNYOM-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.22
Rot. Bonds2

About N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide

N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 103542279) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
PubChem CID103542279
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC NameN-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CC(OC)C(OC)C1
InChIInChI=1S/C8H18N4O2/c1-10-8(11-9)12-4-6(13-2)7(5-12)14-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOVXZFFPQAUNYOM-UHFFFAOYSA-N
XLogP-1.22
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.22
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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Frequently Asked Questions

What is the IUPAC name of N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide (CID 103542279) is N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NN)N1CC(OC)C(OC)C1.
What is the InChIKey of N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is OVXZFFPQAUNYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-10-8(11-9)12-4-6(13-2)7(5-12)14-3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide?
N-amino-3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 202.26 g/mol, XLogP of -1.22, 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-dimethoxy-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 103542279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).