3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide

C12H25N3O — CID 62363231

IUPAC3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCCOC1CCCN(/C(N)=N/CC(C)C)C1
InChIInChI=1S/C12H25N3O/c1-4-16-11-6-5-7-15(9-11)12(13)14-8-10(2)3/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyOGHMRJFHXWXPPN-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.46
Rot. Bonds4

About 3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide

3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide (PubChem CID 62363231) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
PubChem CID62363231
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCCOC1CCCN(/C(N)=N/CC(C)C)C1
InChIInChI=1S/C12H25N3O/c1-4-16-11-6-5-7-15(9-11)12(13)14-8-10(2)3/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyOGHMRJFHXWXPPN-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.46
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'-(2-methylpropyl)piperidine-1-carboximidamide?
The IUPAC name of 3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide (CID 62363231) is 3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide is CCOC1CCCN(/C(N)=N/CC(C)C)C1.
What is the InChIKey of 3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The InChIKey is OGHMRJFHXWXPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-16-11-6-5-7-15(9-11)12(13)14-8-10(2)3/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide?
3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 62363231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).