3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide

C11H24N4O — CID 81465364

IUPAC3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN1CC(C)C(N(C)C)C1)C(N)=NO
InChIInChI=1S/C11H24N4O/c1-8-5-15(7-10(8)14(3)4)6-9(2)11(12)13-16/h8-10,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyDSYYLIMRRBHFNT-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.25
Rot. Bonds4

About 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 81465364) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide
PubChem CID81465364
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN1CC(C)C(N(C)C)C1)C(N)=NO
InChIInChI=1S/C11H24N4O/c1-8-5-15(7-10(8)14(3)4)6-9(2)11(12)13-16/h8-10,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyDSYYLIMRRBHFNT-UHFFFAOYSA-N
XLogP0.25
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide (CID 81465364) is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide is CC(CN1CC(C)C(N(C)C)C1)C(N)=NO.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is DSYYLIMRRBHFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-8-5-15(7-10(8)14(3)4)6-9(2)11(12)13-16/h8-10,16H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 81465364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).