4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide

C10H21N3O — CID 64599550

IUPAC4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(COC)C1
InChIInChI=1S/C10H21N3O/c1-14-8-9-4-6-13(7-9)5-2-3-10(11)12/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyDVKRBOLGZQJCGH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.67
Rot. Bonds6

About 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide

4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide (PubChem CID 64599550) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide.

Molecular Properties

Compound Name4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
PubChem CID64599550
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(COC)C1
InChIInChI=1S/C10H21N3O/c1-14-8-9-4-6-13(7-9)5-2-3-10(11)12/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyDVKRBOLGZQJCGH-UHFFFAOYSA-N
XLogP0.67
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide?
The IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide (CID 64599550) is 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide.
What is the SMILES notation for 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide?
The canonical SMILES for 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide is [H]/N=C(\N)CCCN1CCC(COC)C1.
What is the InChIKey of 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide?
The InChIKey is DVKRBOLGZQJCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-14-8-9-4-6-13(7-9)5-2-3-10(11)12/h9H,2-8H2,1H3,(H3,11,12).
What are the key properties of 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide?
4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide is sourced from PubChem (CID 64599550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).