3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide

C11H22N4O2 — CID 76986953

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
SMILESCN(C)C1CCN(C(=O)C(C)(C)C(N)=NO)C1
InChIInChI=1S/C11H22N4O2/c1-11(2,9(12)13-17)10(16)15-6-5-8(7-15)14(3)4/h8,17H,5-7H2,1-4H3,(H2,12,13)
InChIKeyAPYTWVOYHZOKKD-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.08
Rot. Bonds3

About 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide

3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide (PubChem CID 76986953) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
PubChem CID76986953
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
SMILESCN(C)C1CCN(C(=O)C(C)(C)C(N)=NO)C1
InChIInChI=1S/C11H22N4O2/c1-11(2,9(12)13-17)10(16)15-6-5-8(7-15)14(3)4/h8,17H,5-7H2,1-4H3,(H2,12,13)
InChIKeyAPYTWVOYHZOKKD-UHFFFAOYSA-N
XLogP-0.08
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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

2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328660
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76921685
N'-hydroxy-2,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-oxopropanimidamide
CID 81200424
2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 79814784
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-methylbutanethioamide
CID 114292277
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76920595
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide
CID 63513942
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide
CID 77032995

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide (CID 76986953) is 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide is CN(C)C1CCN(C(=O)C(C)(C)C(N)=NO)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The InChIKey is APYTWVOYHZOKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-11(2,9(12)13-17)10(16)15-6-5-8(7-15)14(3)4/h8,17H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide has a molecular weight of 242.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide is sourced from PubChem (CID 76986953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).