2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide

C7H14N4O — CID 89418631

IUPAC2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide
SMILESC/N=C(\N)C(=O)N1CCC(N)C1
InChIInChI=1S/C7H14N4O/c1-10-6(9)7(12)11-3-2-5(8)4-11/h5H,2-4,8H2,1H3,(H2,9,10)
InChIKeyBZCKVANQIMTELO-UHFFFAOYSA-N
MW170.22 g/mol
LogP-1.47
Rot. Bonds

About 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide

2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide (PubChem CID 89418631) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide
PubChem CID89418631
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide
SMILESC/N=C(\N)C(=O)N1CCC(N)C1
InChIInChI=1S/C7H14N4O/c1-10-6(9)7(12)11-3-2-5(8)4-11/h5H,2-4,8H2,1H3,(H2,9,10)
InChIKeyBZCKVANQIMTELO-UHFFFAOYSA-N
XLogP-1.47
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
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-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 11858358
2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;dihydrochloride
CID 11858359
N'-(1-propanoylpyrrolidin-3-yl)ethanimidamide
CID 53664312
2-(1-Propanoylpyrrolidin-3-yl)guanidine
CID 53982605
N'-(1-propanoylpyrrolidin-3-yl)methanimidamide
CID 54479349
N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide
CID 54570963
2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 58620294
2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 69241496
2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide
CID 73129025
2-(3-amino-3-methylpyrrolidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide
CID 123598521
2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide
CID 123716393
[1-(2-Amino-2-methanimidoyliminoacetyl)pyrrolidin-3-yl]urea
CID 123736194

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide (CID 89418631) is 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide is C/N=C(\N)C(=O)N1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide?
The InChIKey is BZCKVANQIMTELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-10-6(9)7(12)11-3-2-5(8)4-11/h5H,2-4,8H2,1H3,(H2,9,10).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide?
2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide has a molecular weight of 170.22 g/mol, XLogP of -1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide is sourced from PubChem (CID 89418631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).