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

C10H21N3O2 — CID 61407719

IUPACN'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCCC1CO
InChIInChI=1S/C10H21N3O2/c1-2-8(6-10(11)12-15)13-5-3-4-9(13)7-14/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyBDBJASVBRFMKJF-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds5

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

N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide (PubChem CID 61407719) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
PubChem CID61407719
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCCC1CO
InChIInChI=1S/C10H21N3O2/c1-2-8(6-10(11)12-15)13-5-3-4-9(13)7-14/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyBDBJASVBRFMKJF-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.36
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'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103369286
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]propanimidamide
CID 103370250
[(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol
CID 88544492
N'-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]propanimidamide
CID 178170789
3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 54994032
N'-hydroxy-3-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide
CID 54994609
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-oxopropanimidamide
CID 55207798
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide
CID 60961041
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 60979982
3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 61235419
4-[2-(Hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407244
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]propanimidamide
CID 61407246

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide (CID 61407719) is N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide is CCC(CC(N)=NO)N1CCCC1CO.
What is the InChIKey of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide?
The InChIKey is BDBJASVBRFMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-8(6-10(11)12-15)13-5-3-4-9(13)7-14/h8-9,14-15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide?
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 5 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]pentanimidamide is sourced from PubChem (CID 61407719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).