N-benzyl-3-methyloxan-2-imine

C13H17NO — CID 134893941

IUPACN-benzyl-3-methyloxan-2-imine
SMILESCC1CCCO/C1=N\Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-6-5-9-15-13(11)14-10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b14-13-
InChIKeyBPUCFXPWSDCOAK-YPKPFQOOSA-N
MW203.29 g/mol
LogP3.03
Rot. Bonds2

About N-benzyl-3-methyloxan-2-imine

N-benzyl-3-methyloxan-2-imine (PubChem CID 134893941) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-benzyl-3-methyloxan-2-imine.

Molecular Properties

Compound NameN-benzyl-3-methyloxan-2-imine
PubChem CID134893941
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-benzyl-3-methyloxan-2-imine
SMILESCC1CCCO/C1=N\Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-6-5-9-15-13(11)14-10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b14-13-
InChIKeyBPUCFXPWSDCOAK-YPKPFQOOSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.03
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

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CID 14529224
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CID 71604915
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CID 101728541
6-(2,4-Difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine
CID 123593771
3-Ethoxy-1,4-dihydroisoquinoline
CID 15047390
N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide
CID 170783313
N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine
CID 10465557
N-benzyl-3-methyloxolan-2-imine
CID 11084634
N-benzyloxan-2-imine
CID 14529227
ethyl N-benzyl-2-cyanoethanimidate
CID 85582466
5-Benzyliminopentan-1-ol
CID 130129561
N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine
CID 134895764

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyloxan-2-imine?
The IUPAC name of N-benzyl-3-methyloxan-2-imine (CID 134893941) is N-benzyl-3-methyloxan-2-imine.
What is the SMILES notation for N-benzyl-3-methyloxan-2-imine?
The canonical SMILES for N-benzyl-3-methyloxan-2-imine is CC1CCCO/C1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-3-methyloxan-2-imine?
The InChIKey is BPUCFXPWSDCOAK-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-6-5-9-15-13(11)14-10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/b14-13-.
What are the key properties of N-benzyl-3-methyloxan-2-imine?
N-benzyl-3-methyloxan-2-imine has a molecular weight of 203.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyloxan-2-imine is sourced from PubChem (CID 134893941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).