3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide

C10H21N3O — CID 64599754

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(COC)C1
InChIInChI=1S/C10H21N3O/c1-8(5-10(11)12)13-4-3-9(6-13)7-14-2/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyISFKFOSCPXFTBO-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.67
Rot. Bonds5

About 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide

3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide (PubChem CID 64599754) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
PubChem CID64599754
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(COC)C1
InChIInChI=1S/C10H21N3O/c1-8(5-10(11)12)13-4-3-9(6-13)7-14-2/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyISFKFOSCPXFTBO-UHFFFAOYSA-N
XLogP0.67
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.67
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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Related Compounds

3-[3-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 112625795
N'-hydroxy-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 77048476
4-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64705792
3-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 60914180
3-(3,5-dimethylpiperidin-1-yl)butanimidamide
CID 60914525
2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide
CID 130787512
3-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63971694
3-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980494
3-(4-ethylpiperazin-1-yl)butanimidamide
CID 60914884
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79414057
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide
CID 81463630
3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356379

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide (CID 64599754) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide is [H]/N=C(\N)CC(C)N1CCC(COC)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide?
The InChIKey is ISFKFOSCPXFTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(5-10(11)12)13-4-3-9(6-13)7-14-2/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide?
3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide is sourced from PubChem (CID 64599754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).