N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide

C11H23N3O2 — CID 103356320

IUPACN'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCC1(O)CCN(CCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C11H23N3O2/c1-10(2,9(12)13-16)4-6-14-7-5-11(3,15)8-14/h15-16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyIHXTWQQENATNSU-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.61
Rot. Bonds4

About N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide

N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 103356320) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
PubChem CID103356320
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCC1(O)CCN(CCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C11H23N3O2/c1-10(2,9(12)13-16)4-6-14-7-5-11(3,15)8-14/h15-16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyIHXTWQQENATNSU-UHFFFAOYSA-N
XLogP0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.61
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

N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide
CID 77061779
N'-hydroxy-4-[(2-hydroxy-2-methylbutyl)amino]-2,2-dimethylbutanimidamide
CID 77062614
N'-hydroxy-5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 77063874
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 79378564
N'-hydroxy-4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide
CID 79379098
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 79380050
N'-hydroxy-5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
CID 79380231
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
CID 103356307
N'-hydroxy-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 103356309
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide
CID 103356312
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356313
N'-hydroxy-5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
CID 103356316

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide (CID 103356320) is N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide is CC1(O)CCN(CCC(C)(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is IHXTWQQENATNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(2,9(12)13-16)4-6-14-7-5-11(3,15)8-14/h15-16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 103356320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).