3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide

C9H19N3O — CID 102781514

IUPAC3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(C)C1CO
InChIInChI=1S/C9H19N3O/c1-7-2-4-12(8(7)6-13)5-3-9(10)11/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyOICQYFMWXVRXIJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.02
Rot. Bonds4

About 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide

3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide (PubChem CID 102781514) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide
PubChem CID102781514
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(C)C1CO
InChIInChI=1S/C9H19N3O/c1-7-2-4-12(8(7)6-13)5-3-9(10)11/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyOICQYFMWXVRXIJ-UHFFFAOYSA-N
XLogP0.02
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788257
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanimidamide
CID 82750382
[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
4-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]benzenecarboximidamide
CID 102781528
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
CID 102786734
3-fluoro-5-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 102781535
[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
CID 106456281
3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide
CID 82696701
[1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102788799
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide
CID 102788879
4-(2-methylpyrrolidin-1-yl)butanimidamide
CID 60974851

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide?
The IUPAC name of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide (CID 102781514) is 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide?
The canonical SMILES for 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCC(C)C1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide?
The InChIKey is OICQYFMWXVRXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-2-4-12(8(7)6-13)5-3-9(10)11/h7-8,13H,2-6H2,1H3,(H3,10,11).
What are the key properties of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide?
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide is sourced from PubChem (CID 102781514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).