(E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine

C13H16N2O — CID 56947880

IUPAC(E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine
SMILESCO/N=C/C1C2CNCC12c1ccccc1
InChIInChI=1S/C13H16N2O/c1-16-15-8-12-11-7-14-9-13(11,12)10-5-3-2-4-6-10/h2-6,8,11-12,14H,7,9H2,1H3/b15-8+
InChIKeyIAFUYXPQQGQHEL-OVCLIPMQSA-N
MW216.28 g/mol
LogP1.41
Rot. Bonds3

About (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine

(E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine (PubChem CID 56947880) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine
PubChem CID56947880
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine
SMILESCO/N=C/C1C2CNCC12c1ccccc1
InChIInChI=1S/C13H16N2O/c1-16-15-8-12-11-7-14-9-13(11,12)10-5-3-2-4-6-10/h2-6,8,11-12,14H,7,9H2,1H3/b15-8+
InChIKeyIAFUYXPQQGQHEL-OVCLIPMQSA-N
XLogP1.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
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

(1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 130763524
(Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine
CID 129018704
6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
CID 56667523
(1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
CID 45380184
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
ethane;1-phenyl-3-azabicyclo[3.2.0]heptane
CID 143290504
(3aS,4S,7aS)-4,7,7-triphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-ol
CID 15289539
3-methoxysulfanyl-3-phenylazetidine
CID 175289282
4-methyl-4-phenylpyrrolidine-3-carboxylic acid
CID 63940767
4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-ol
CID 19376827

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine?
The IUPAC name of (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine (CID 56947880) is (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine.
What is the SMILES notation for (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine?
The canonical SMILES for (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine is CO/N=C/C1C2CNCC12c1ccccc1.
What is the InChIKey of (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine?
The InChIKey is IAFUYXPQQGQHEL-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-15-8-12-11-7-14-9-13(11,12)10-5-3-2-4-6-10/h2-6,8,11-12,14H,7,9H2,1H3/b15-8+.
What are the key properties of (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine?
(E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine has a molecular weight of 216.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine is sourced from PubChem (CID 56947880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).