N-benzyloxan-2-imine

C12H15NO — CID 14529227

IUPACN-benzyloxan-2-imine
SMILESc1ccc(C/N=C2\CCCCO2)cc1
InChIInChI=1S/C12H15NO/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-14-12/h1-3,6-7H,4-5,8-10H2/b13-12+
InChIKeyVVXQFBNKSWVIAZ-OUKQBFOZSA-N
MW189.26 g/mol
LogP2.79
Rot. Bonds2

About N-benzyloxan-2-imine

N-benzyloxan-2-imine (PubChem CID 14529227) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-benzyloxan-2-imine.

Molecular Properties

Compound NameN-benzyloxan-2-imine
PubChem CID14529227
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-benzyloxan-2-imine
SMILESc1ccc(C/N=C2\CCCCO2)cc1
InChIInChI=1S/C12H15NO/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-14-12/h1-3,6-7H,4-5,8-10H2/b13-12+
InChIKeyVVXQFBNKSWVIAZ-OUKQBFOZSA-N
XLogP2.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-benzylmethanimidate
CID 14292074
N-benzyloxolan-2-imine
CID 14529224
N-(methoxy-2-propylidene)benzylamine
CID 71604915
6-Methoxy-2-phenyl-2,3,4,5-tetrahydropyridine
CID 101728541
(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 102475498
2,4-Dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 576242
3-Ethoxy-1,4-dihydroisoquinoline
CID 15047390
N-benzyl-1-(oxolan-2-yl)methanimine oxide
CID 10398033
N-benzyl-3-methyloxolan-2-imine
CID 11084634
N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine
CID 14142913
ethyl N-benzyl-2-cyanoethanimidate
CID 85582466
N-benzyl-1,3-oxaselenepan-2-imine
CID 101465464

Frequently Asked Questions

What is the IUPAC name of N-benzyloxan-2-imine?
The IUPAC name of N-benzyloxan-2-imine (CID 14529227) is N-benzyloxan-2-imine.
What is the SMILES notation for N-benzyloxan-2-imine?
The canonical SMILES for N-benzyloxan-2-imine is c1ccc(C/N=C2\CCCCO2)cc1.
What is the InChIKey of N-benzyloxan-2-imine?
The InChIKey is VVXQFBNKSWVIAZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-14-12/h1-3,6-7H,4-5,8-10H2/b13-12+.
What are the key properties of N-benzyloxan-2-imine?
N-benzyloxan-2-imine has a molecular weight of 189.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyloxan-2-imine is sourced from PubChem (CID 14529227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).