2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide

C9H19N3O — CID 64599145

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCC(COC)C1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)12-4-3-8(5-12)6-13-2/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyYPJMPHAPSMJOLG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.28
Rot. Bonds4

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide

2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide (PubChem CID 64599145) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide
PubChem CID64599145
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCC(COC)C1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)12-4-3-8(5-12)6-13-2/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyYPJMPHAPSMJOLG-UHFFFAOYSA-N
XLogP0.28
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.28
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide (CID 64599145) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide is [H]/N=C(\N)C(C)N1CCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide?
The InChIKey is YPJMPHAPSMJOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(10)11)12-4-3-8(5-12)6-13-2/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide?
2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]propanimidamide is sourced from PubChem (CID 64599145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).