N-(pyridin-2-ylmethoxy)cyclobutanimine

C10H12N2O — CID 130676027

IUPACN-(pyridin-2-ylmethoxy)cyclobutanimine
SMILESc1ccc(CON=C2CCC2)nc1
InChIInChI=1S/C10H12N2O/c1-2-7-11-10(4-1)8-13-12-9-5-3-6-9/h1-2,4,7H,3,5-6,8H2
InChIKeyVPIGYIFPYOUBPA-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.14
Rot. Bonds3

About N-(pyridin-2-ylmethoxy)cyclobutanimine

N-(pyridin-2-ylmethoxy)cyclobutanimine (PubChem CID 130676027) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(pyridin-2-ylmethoxy)cyclobutanimine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethoxy)cyclobutanimine
PubChem CID130676027
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(pyridin-2-ylmethoxy)cyclobutanimine
SMILESc1ccc(CON=C2CCC2)nc1
InChIInChI=1S/C10H12N2O/c1-2-7-11-10(4-1)8-13-12-9-5-3-6-9/h1-2,4,7H,3,5-6,8H2
InChIKeyVPIGYIFPYOUBPA-UHFFFAOYSA-N
XLogP2.14
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(pyridin-2-ylmethoxy)propan-1-imine
CID 88538998
pyridin-2-ylmethyl hypoiodite
CID 67567753
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol
CID 150698152
2-(2-pyrrolidin-1-ylethoxymethyl)pyridine
CID 163407284
N-pyrimidin-2-yloxycyclododecanimine
CID 151679989
2-(1,1-difluoroethoxymethyl)pyridine
CID 68641957
pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate
CID 11108080
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine
CID 24745800

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethoxy)cyclobutanimine?
The IUPAC name of N-(pyridin-2-ylmethoxy)cyclobutanimine (CID 130676027) is N-(pyridin-2-ylmethoxy)cyclobutanimine.
What is the SMILES notation for N-(pyridin-2-ylmethoxy)cyclobutanimine?
The canonical SMILES for N-(pyridin-2-ylmethoxy)cyclobutanimine is c1ccc(CON=C2CCC2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethoxy)cyclobutanimine?
The InChIKey is VPIGYIFPYOUBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-11-10(4-1)8-13-12-9-5-3-6-9/h1-2,4,7H,3,5-6,8H2.
What are the key properties of N-(pyridin-2-ylmethoxy)cyclobutanimine?
N-(pyridin-2-ylmethoxy)cyclobutanimine has a molecular weight of 176.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethoxy)cyclobutanimine is sourced from PubChem (CID 130676027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).