4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide

C13H19N3O — CID 54883042

IUPAC4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN1c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H19N3O/c1-2-11-4-3-9-16(11)12-7-5-10(6-8-12)13(14)15-17/h5-8,11,17H,2-4,9H2,1H3,(H2,14,15)
InChIKeyVIOKVMKEXKTMDK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds3

About 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide

4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 54883042) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID54883042
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN1c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H19N3O/c1-2-11-4-3-9-16(11)12-7-5-10(6-8-12)13(14)15-17/h5-8,11,17H,2-4,9H2,1H3,(H2,14,15)
InChIKeyVIOKVMKEXKTMDK-UHFFFAOYSA-N
XLogP2.16
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 76975800
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 107278551
4-(2-ethylpyrrolidin-1-yl)-2-methylbenzenecarbothioamide
CID 81275990
(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 114066064
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
N'-hydroxy-4-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77001998
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299833
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665
5-(2-ethylpyrrolidin-1-yl)pyridin-2-amine
CID 60973489

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide (CID 54883042) is 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide is CCC1CCCN1c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is VIOKVMKEXKTMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-11-4-3-9-16(11)12-7-5-10(6-8-12)13(14)15-17/h5-8,11,17H,2-4,9H2,1H3,(H2,14,15).
What are the key properties of 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide?
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54883042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).