3-ethoxy-N'-methylpiperidine-1-carboximidamide

C9H19N3O — CID 62360997

IUPAC3-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCCN(/C(N)=N/C)C1
InChIInChI=1S/C9H19N3O/c1-3-13-8-5-4-6-12(7-8)9(10)11-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyUKLGTMDTVCZCDW-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds2

About 3-ethoxy-N'-methylpiperidine-1-carboximidamide

3-ethoxy-N'-methylpiperidine-1-carboximidamide (PubChem CID 62360997) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-ethoxy-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-ethoxy-N'-methylpiperidine-1-carboximidamide
PubChem CID62360997
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCCN(/C(N)=N/C)C1
InChIInChI=1S/C9H19N3O/c1-3-13-8-5-4-6-12(7-8)9(10)11-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyUKLGTMDTVCZCDW-UHFFFAOYSA-N
XLogP0.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxy-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 3-ethoxy-N'-methylpiperidine-1-carboximidamide (CID 62360997) is 3-ethoxy-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-ethoxy-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 3-ethoxy-N'-methylpiperidine-1-carboximidamide is CCOC1CCCN(/C(N)=N/C)C1.
What is the InChIKey of 3-ethoxy-N'-methylpiperidine-1-carboximidamide?
The InChIKey is UKLGTMDTVCZCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-13-8-5-4-6-12(7-8)9(10)11-2/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 3-ethoxy-N'-methylpiperidine-1-carboximidamide?
3-ethoxy-N'-methylpiperidine-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 62360997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).