4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide

C11H20N4O2 — CID 54193019

IUPAC4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide
SMILESC/C(N)=N\CCCC(=O)NC1CCN(C=O)C1
InChIInChI=1S/C11H20N4O2/c1-9(12)13-5-2-3-11(17)14-10-4-6-15(7-10)8-16/h8,10H,2-7H2,1H3,(H2,12,13)(H,14,17)
InChIKeyPJUZLWARGNFKQY-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.51
Rot. Bonds6

About 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide

4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide (PubChem CID 54193019) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide
PubChem CID54193019
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide
SMILESC/C(N)=N\CCCC(=O)NC1CCN(C=O)C1
InChIInChI=1S/C11H20N4O2/c1-9(12)13-5-2-3-11(17)14-10-4-6-15(7-10)8-16/h8,10H,2-7H2,1H3,(H2,12,13)(H,14,17)
InChIKeyPJUZLWARGNFKQY-UHFFFAOYSA-N
XLogP-0.51
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1-propanoylpyrrolidin-3-yl)ethanimidamide
CID 53664312
N-(1-formylpyrrolidin-3-yl)-4-(methylamino)butanamide
CID 53727931
2-(diaminomethylideneamino)-N-(1-formylpyrrolidin-3-yl)-N-methylpropanamide
CID 53874859
4-(aminomethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide
CID 53898968
4-(diaminomethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide
CID 53916501
2-(aminomethylideneamino)-N-(1-formylpyrrolidin-3-yl)-N-methylpropanamide
CID 53924012
2-[[amino(dimethylamino)methylidene]amino]-N-(1-formylpyrrolidin-3-yl)acetamide
CID 54186495
1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide
CID 54199159
N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide
CID 54421632
N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide
CID 54570963
2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 58620294
2-[[[(3S)-1-acetylpyrrolidin-3-yl]amino]methoxymethyl]guanidine
CID 59123895

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide?
The IUPAC name of 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide (CID 54193019) is 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide?
The canonical SMILES for 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide is C/C(N)=N\CCCC(=O)NC1CCN(C=O)C1.
What is the InChIKey of 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide?
The InChIKey is PJUZLWARGNFKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(12)13-5-2-3-11(17)14-10-4-6-15(7-10)8-16/h8,10H,2-7H2,1H3,(H2,12,13)(H,14,17).
What are the key properties of 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide?
4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide has a molecular weight of 240.31 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 54193019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).