N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide

C11H21N3O — CID 62363016

IUPACN'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide
SMILESCCOC1CCCN(/C(N)=N/C2CC2)C1
InChIInChI=1S/C11H21N3O/c1-2-15-10-4-3-7-14(8-10)11(12)13-9-5-6-9/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyZFQJTWXWSCBSIS-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.96
Rot. Bonds3

About N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide

N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide (PubChem CID 62363016) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide
PubChem CID62363016
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide
SMILESCCOC1CCCN(/C(N)=N/C2CC2)C1
InChIInChI=1S/C11H21N3O/c1-2-15-10-4-3-7-14(8-10)11(12)13-9-5-6-9/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyZFQJTWXWSCBSIS-UHFFFAOYSA-N
XLogP0.96
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.96
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 N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide (CID 62363016) is N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide is CCOC1CCCN(/C(N)=N/C2CC2)C1.
What is the InChIKey of N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide?
The InChIKey is ZFQJTWXWSCBSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-15-10-4-3-7-14(8-10)11(12)13-9-5-6-9/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide?
N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide has a molecular weight of 211.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3-ethoxypiperidine-1-carboximidamide is sourced from PubChem (CID 62363016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).