3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide

C9H19N3O — CID 130949610

IUPAC3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CC(C)C(O)C1
InChIInChI=1S/C9H19N3O/c1-6-3-12(5-8(6)13)4-7(2)9(10)11/h6-8,13H,3-5H2,1-2H3,(H3,10,11)
InChIKeyXDAGMTYACUBNRI-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.13
Rot. Bonds3

About 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide

3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide (PubChem CID 130949610) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide
PubChem CID130949610
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CC(C)C(O)C1
InChIInChI=1S/C9H19N3O/c1-6-3-12(5-8(6)13)4-7(2)9(10)11/h6-8,13H,3-5H2,1-2H3,(H3,10,11)
InChIKeyXDAGMTYACUBNRI-UHFFFAOYSA-N
XLogP-0.13
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.13
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide (CID 130949610) is 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CC(C)C(O)C1.
What is the InChIKey of 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide?
The InChIKey is XDAGMTYACUBNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6-3-12(5-8(6)13)4-7(2)9(10)11/h6-8,13H,3-5H2,1-2H3,(H3,10,11).
What are the key properties of 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide?
3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide has a molecular weight of 185.27 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 130949610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).