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

C11H23N3O — CID 64599549

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(COC)C1
InChIInChI=1S/C11H23N3O/c1-3-10(6-11(12)13)14-5-4-9(7-14)8-15-2/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyJWUZHFCIHLPNGI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.06
Rot. Bonds6

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

3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide (PubChem CID 64599549) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide
PubChem CID64599549
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(COC)C1
InChIInChI=1S/C11H23N3O/c1-3-10(6-11(12)13)14-5-4-9(7-14)8-15-2/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyJWUZHFCIHLPNGI-UHFFFAOYSA-N
XLogP1.06
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.06
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 3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide (CID 64599549) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide is [H]/N=C(\N)CC(CC)N1CCC(COC)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide?
The InChIKey is JWUZHFCIHLPNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10(6-11(12)13)14-5-4-9(7-14)8-15-2/h9-10H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide?
3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.06, 6 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]pentanimidamide is sourced from PubChem (CID 64599549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).