N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide

C7H16N4O — CID 103542266

IUPACN-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCC(OC)C1
InChIInChI=1S/C7H16N4O/c1-9-7(10-8)11-4-3-6(5-11)12-2/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyIZCXAJDHCWXCAT-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.84
Rot. Bonds1

About N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide

N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 103542266) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide
PubChem CID103542266
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC NameN-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCC(OC)C1
InChIInChI=1S/C7H16N4O/c1-9-7(10-8)11-4-3-6(5-11)12-2/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyIZCXAJDHCWXCAT-UHFFFAOYSA-N
XLogP-0.84
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89196877
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide
CID 103534594
3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534595
N'-ethyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534599
N'-amino-3-methoxypyrrolidine-1-carboximidamide
CID 103534601
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'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 103542267

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide (CID 103542266) is N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NN)N1CCC(OC)C1.
What is the InChIKey of N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is IZCXAJDHCWXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-9-7(10-8)11-4-3-6(5-11)12-2/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide?
N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 172.23 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methoxy-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 103542266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).