N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide

C11H21N3O — CID 54481141

IUPACN'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide
SMILESCCCC(=O)N1CCC(C/N=C(\C)N)C1
InChIInChI=1S/C11H21N3O/c1-3-4-11(15)14-6-5-10(8-14)7-13-9(2)12/h10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyXPBHPZZUPHEONG-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.01
Rot. Bonds4

About N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide

N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide (PubChem CID 54481141) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide
PubChem CID54481141
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide
SMILESCCCC(=O)N1CCC(C/N=C(\C)N)C1
InChIInChI=1S/C11H21N3O/c1-3-4-11(15)14-6-5-10(8-14)7-13-9(2)12/h10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyXPBHPZZUPHEONG-UHFFFAOYSA-N
XLogP1.01
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-(1-propanoylpyrrolidin-3-yl)ethanimidamide
CID 53664312
N'-[(1-butanoylpyrrolidin-3-yl)methyl]methanimidamide
CID 53886711
2-[(1-Propanoylpyrrolidin-3-yl)methyl]guanidine
CID 54073856
2-[(1-Butanoylpyrrolidin-3-yl)methyl]guanidine
CID 54117029
N'-[(1-propanoylpyrrolidin-3-yl)methyl]methanimidamide
CID 54516837
N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide
CID 54570963
N-[3-[(1-amino-3-methylbutylidene)amino]propyl]-2-methylbutanamide
CID 122598424
3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide
CID 123147049
ethane;(2S)-N'-methyl-1-(3-methylbutanoyl)pyrrolidine-2-carboximidamide
CID 144634422
N-(1-amino-2-methylpropylidene)pyrrolidine-3-carboxamide;ethane
CID 145380241
N'-(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)ethanimidamide
CID 146238642
4-Methyl-1-propyl-5-propyliminopyrrolidin-2-one
CID 21580861

Frequently Asked Questions

What is the IUPAC name of N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide?
The IUPAC name of N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide (CID 54481141) is N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide?
The canonical SMILES for N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide is CCCC(=O)N1CCC(C/N=C(\C)N)C1.
What is the InChIKey of N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide?
The InChIKey is XPBHPZZUPHEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-4-11(15)14-6-5-10(8-14)7-13-9(2)12/h10H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide?
N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide has a molecular weight of 211.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-butanoylpyrrolidin-3-yl)methyl]ethanimidamide is sourced from PubChem (CID 54481141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).