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

C10H21N3O2 — CID 102781445

IUPACN'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCC(C)C1CO
InChIInChI=1S/C10H21N3O2/c1-3-8(10(11)12-15)13-5-4-7(2)9(13)6-14/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyMKYCLTLAIJRMNG-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.21
Rot. Bonds4

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

N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide (PubChem CID 102781445) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide
PubChem CID102781445
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCC(C)C1CO
InChIInChI=1S/C10H21N3O2/c1-3-8(10(11)12-15)13-5-4-7(2)9(13)6-14/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyMKYCLTLAIJRMNG-UHFFFAOYSA-N
XLogP0.21
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.21
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

[1-(1-aminobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102778109
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide
CID 102784918
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 102784278
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)butanimidamide
CID 77015839
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide
CID 102883753
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxybutanimidamide
CID 76915663
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxybutanimidamide
CID 83227306
N'-hydroxy-2-(3-propoxypiperidin-1-yl)butanimidamide
CID 76915742
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 76915724
2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102780574
2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol
CID 127007454

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide (CID 102781445) is N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCC(C)C1CO.
What is the InChIKey of N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide?
The InChIKey is MKYCLTLAIJRMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-8(10(11)12-15)13-5-4-7(2)9(13)6-14/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide?
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide is sourced from PubChem (CID 102781445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).