2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide

C7H14N6O — CID 144535063

IUPAC2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide
SMILES[H]/N=C(\N=C(N)N)C(=O)N1CCC(N)C1
InChIInChI=1S/C7H14N6O/c8-4-1-2-13(3-4)6(14)5(9)12-7(10)11/h4H,1-3,8H2,(H5,9,10,11,12)
InChIKeyWPIALCQAHZQLTF-UHFFFAOYSA-N
MW198.23 g/mol
LogP-2.20
Rot. Bonds

About 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide

2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide (PubChem CID 144535063) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide
PubChem CID144535063
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide
SMILES[H]/N=C(\N=C(N)N)C(=O)N1CCC(N)C1
InChIInChI=1S/C7H14N6O/c8-4-1-2-13(3-4)6(14)5(9)12-7(10)11/h4H,1-3,8H2,(H5,9,10,11,12)
InChIKeyWPIALCQAHZQLTF-UHFFFAOYSA-N
XLogP-2.20
TPSA134.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
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
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-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide
CID 89418631
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
N-[1-(2-amino-2-carbamimidoyliminoacetyl)pyrrolidin-3-yl]acetamide
CID 123950956
2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 140991929
2-[(3R)-2-oxopyrrolidin-3-yl]guanidine
CID 152552573

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide (CID 144535063) is 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide is [H]/N=C(\N=C(N)N)C(=O)N1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide?
The InChIKey is WPIALCQAHZQLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c8-4-1-2-13(3-4)6(14)5(9)12-7(10)11/h4H,1-3,8H2,(H5,9,10,11,12).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide?
2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide has a molecular weight of 198.23 g/mol, XLogP of -2.20, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide is sourced from PubChem (CID 144535063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).