N'-tert-butyl-3-propoxypiperidine-1-carboximidamide

C13H27N3O — CID 55063809

IUPACN'-tert-butyl-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(N)=N/C(C)(C)C)C1
InChIInChI=1S/C13H27N3O/c1-5-9-17-11-7-6-8-16(10-11)12(14)15-13(2,3)4/h11H,5-10H2,1-4H3,(H2,14,15)
InChIKeyOGWWDJXIVOPGSE-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.99
Rot. Bonds3

About N'-tert-butyl-3-propoxypiperidine-1-carboximidamide

N'-tert-butyl-3-propoxypiperidine-1-carboximidamide (PubChem CID 55063809) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-tert-butyl-3-propoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3-propoxypiperidine-1-carboximidamide
PubChem CID55063809
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-tert-butyl-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(N)=N/C(C)(C)C)C1
InChIInChI=1S/C13H27N3O/c1-5-9-17-11-7-6-8-16(10-11)12(14)15-13(2,3)4/h11H,5-10H2,1-4H3,(H2,14,15)
InChIKeyOGWWDJXIVOPGSE-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.99
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'-tert-butyl-3-propoxypiperidine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-3-propoxypiperidine-1-carboximidamide (CID 55063809) is N'-tert-butyl-3-propoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-3-propoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-3-propoxypiperidine-1-carboximidamide is CCCOC1CCCN(/C(N)=N/C(C)(C)C)C1.
What is the InChIKey of N'-tert-butyl-3-propoxypiperidine-1-carboximidamide?
The InChIKey is OGWWDJXIVOPGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-9-17-11-7-6-8-16(10-11)12(14)15-13(2,3)4/h11H,5-10H2,1-4H3,(H2,14,15).
What are the key properties of N'-tert-butyl-3-propoxypiperidine-1-carboximidamide?
N'-tert-butyl-3-propoxypiperidine-1-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-propoxypiperidine-1-carboximidamide is sourced from PubChem (CID 55063809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).