N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine

C15H20N2 — CID 135839640

IUPACN-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine
SMILESCC1C/C(=N\Cc2ccccc2)NC2C(C)C12
InChIInChI=1S/C15H20N2/c1-10-8-13(17-15-11(2)14(10)15)16-9-12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3,(H,16,17)
InChIKeyFLWSMNPNYUDEBS-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.85
Rot. Bonds2

About N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine

N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine (PubChem CID 135839640) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine.

Molecular Properties

Compound NameN-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine
PubChem CID135839640
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine
SMILESCC1C/C(=N\Cc2ccccc2)NC2C(C)C12
InChIInChI=1S/C15H20N2/c1-10-8-13(17-15-11(2)14(10)15)16-9-12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3,(H,16,17)
InChIKeyFLWSMNPNYUDEBS-UHFFFAOYSA-N
XLogP2.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-7-chloro-5-methyl-2-azabicyclo[4.1.0]heptan-3-imine
CID 135550564
N-benzyl-2-methyl-2,3-dihydroinden-1-imine
CID 166437795
N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine
CID 139018375
N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine
CID 140768318
N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine
CID 135704112
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
2-benzylimino-1-methylimidazolidin-4-one
CID 137219218
N-benzyl-1-(1,4,6-trimethylpiperidin-3-yl)methanimine
CID 23823711
11-N,28-N-dibenzyl-10,12,27,29-tetrazapentacyclo[28.4.0.04,9.013,18.021,26]tetratriaconta-1(34),4,6,8,13,15,17,21,23,25,30,32-dodecaene-11,28-diimine
CID 136732292
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine?
The IUPAC name of N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine (CID 135839640) is N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine.
What is the SMILES notation for N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine?
The canonical SMILES for N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine is CC1C/C(=N\Cc2ccccc2)NC2C(C)C12.
What is the InChIKey of N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine?
The InChIKey is FLWSMNPNYUDEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-8-13(17-15-11(2)14(10)15)16-9-12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine?
N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine has a molecular weight of 228.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine is sourced from PubChem (CID 135839640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).