3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide

C9H19N3O — CID 76987380

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC1(C)CCCN1CCC(N)=NO
InChIInChI=1S/C9H19N3O/c1-9(2)5-3-6-12(9)7-4-8(10)11-13/h13H,3-7H2,1-2H3,(H2,10,11)
InChIKeyUMWKBPAWXFCWJF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.00
Rot. Bonds3

About 3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide

3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 76987380) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide
PubChem CID76987380
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC1(C)CCCN1CCC(N)=NO
InChIInChI=1S/C9H19N3O/c1-9(2)5-3-6-12(9)7-4-8(10)11-13/h13H,3-7H2,1-2H3,(H2,10,11)
InChIKeyUMWKBPAWXFCWJF-UHFFFAOYSA-N
XLogP1.00
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide (CID 76987380) is 3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide is CC1(C)CCCN1CCC(N)=NO.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is UMWKBPAWXFCWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2)5-3-6-12(9)7-4-8(10)11-13/h13H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide?
3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 185.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76987380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).