N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide

C14H27N3O — CID 55064006

IUPACN'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide
SMILESCCOC1CCCN(/C(N)=N/C2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-2-18-13-9-6-10-17(11-13)14(15)16-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyBRWWSFSJDDJPHU-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.13
Rot. Bonds3

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

N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide (PubChem CID 55064006) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide
PubChem CID55064006
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide
SMILESCCOC1CCCN(/C(N)=N/C2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-2-18-13-9-6-10-17(11-13)14(15)16-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyBRWWSFSJDDJPHU-UHFFFAOYSA-N
XLogP2.13
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.13
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'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide (CID 55064006) is N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide is CCOC1CCCN(/C(N)=N/C2CCCCC2)C1.
What is the InChIKey of N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide?
The InChIKey is BRWWSFSJDDJPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-18-13-9-6-10-17(11-13)14(15)16-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H2,15,16).
What are the key properties of N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide?
N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide has a molecular weight of 253.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide is sourced from PubChem (CID 55064006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).