N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide

C9H19N3O2 — CID 61407767

IUPACN'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
SMILESCC(CC(N)=NO)N1CCCC1CO
InChIInChI=1S/C9H19N3O2/c1-7(5-9(10)11-14)12-4-2-3-8(12)6-13/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyJKMAQSLYNOAOAW-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.03
Rot. Bonds4

About N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide

N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide (PubChem CID 61407767) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
PubChem CID61407767
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
SMILESCC(CC(N)=NO)N1CCCC1CO
InChIInChI=1S/C9H19N3O2/c1-7(5-9(10)11-14)12-4-2-3-8(12)6-13/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyJKMAQSLYNOAOAW-UHFFFAOYSA-N
XLogP-0.03
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
CID 76975863
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 63090584
[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol
CID 169020554
N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide
CID 81203693
4-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 63583684
[1-(1-methoxyethyl)pyrrolidin-2-yl]methanol
CID 89040674
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949180
3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
CID 60914694
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 79028212
3-(3-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide
CID 76910258
3-(2-ethylazepan-1-yl)butanimidamide
CID 104690079

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide (CID 61407767) is N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide is CC(CC(N)=NO)N1CCCC1CO.
What is the InChIKey of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide?
The InChIKey is JKMAQSLYNOAOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(5-9(10)11-14)12-4-2-3-8(12)6-13/h7-8,13-14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide?
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide is sourced from PubChem (CID 61407767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).