N'-methyl-3-propoxypiperidine-1-carboximidamide

C10H21N3O — CID 62360806

IUPACN'-methyl-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(N)=N/C)C1
InChIInChI=1S/C10H21N3O/c1-3-7-14-9-5-4-6-13(8-9)10(11)12-2/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyQGQJSNWXALLGLK-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds3

About N'-methyl-3-propoxypiperidine-1-carboximidamide

N'-methyl-3-propoxypiperidine-1-carboximidamide (PubChem CID 62360806) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-methyl-3-propoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-propoxypiperidine-1-carboximidamide
PubChem CID62360806
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-methyl-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(N)=N/C)C1
InChIInChI=1S/C10H21N3O/c1-3-7-14-9-5-4-6-13(8-9)10(11)12-2/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyQGQJSNWXALLGLK-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.82
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'-methyl-3-propoxypiperidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-propoxypiperidine-1-carboximidamide (CID 62360806) is N'-methyl-3-propoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-propoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-propoxypiperidine-1-carboximidamide is CCCOC1CCCN(/C(N)=N/C)C1.
What is the InChIKey of N'-methyl-3-propoxypiperidine-1-carboximidamide?
The InChIKey is QGQJSNWXALLGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-7-14-9-5-4-6-13(8-9)10(11)12-2/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-methyl-3-propoxypiperidine-1-carboximidamide?
N'-methyl-3-propoxypiperidine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-propoxypiperidine-1-carboximidamide is sourced from PubChem (CID 62360806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).