N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide

C9H20N4O2 — CID 103542267

IUPACN-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCC(OC)C1
InChIInChI=1S/C9H20N4O2/c1-14-6-4-11-9(12-10)13-5-3-8(7-13)15-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyLUGDQZBBQUQWIE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.83
Rot. Bonds4

About N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide

N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide (PubChem CID 103542267) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
PubChem CID103542267
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC NameN-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
SMILESCOCC/N=C(\NN)N1CCC(OC)C1
InChIInChI=1S/C9H20N4O2/c1-14-6-4-11-9(12-10)13-5-3-8(7-13)15-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyLUGDQZBBQUQWIE-UHFFFAOYSA-N
XLogP-0.83
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89196877
3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534595
N'-ethyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534599
N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534607
N-amino-3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103542261
N-amino-N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542262
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
N-amino-3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103542264
N-amino-3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103542265
N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103542266
N-amino-N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542268
N-amino-N'-(3-ethoxypropyl)-3-methoxypyrrolidine-1-carboximidamide
CID 103542269

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide (CID 103542267) is N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide is COCC/N=C(\NN)N1CCC(OC)C1.
What is the InChIKey of N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide?
The InChIKey is LUGDQZBBQUQWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-14-6-4-11-9(12-10)13-5-3-8(7-13)15-2/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide?
N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide has a molecular weight of 216.28 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methoxy-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 103542267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).