(Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine

C16H22N2O — CID 129018704

IUPAC(Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine
SMILESCCO/N=C\C1C2CNCC12c1ccc(C)c(C)c1
InChIInChI=1S/C16H22N2O/c1-4-19-18-9-15-14-8-17-10-16(14,15)13-6-5-11(2)12(3)7-13/h5-7,9,14-15,17H,4,8,10H2,1-3H3/b18-9-
InChIKeyYYLARHSEHAQYKH-NVMNQCDNSA-N
MW258.36 g/mol
LogP2.41
Rot. Bonds4

About (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine

(Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine (PubChem CID 129018704) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine.

Molecular Properties

Compound Name(Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine
PubChem CID129018704
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine
SMILESCCO/N=C\C1C2CNCC12c1ccc(C)c(C)c1
InChIInChI=1S/C16H22N2O/c1-4-19-18-9-15-14-8-17-10-16(14,15)13-6-5-11(2)12(3)7-13/h5-7,9,14-15,17H,4,8,10H2,1-3H3/b18-9-
InChIKeyYYLARHSEHAQYKH-NVMNQCDNSA-N
XLogP2.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine?
The IUPAC name of (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine (CID 129018704) is (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine.
What is the SMILES notation for (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine?
The canonical SMILES for (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine is CCO/N=C\C1C2CNCC12c1ccc(C)c(C)c1.
What is the InChIKey of (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine?
The InChIKey is YYLARHSEHAQYKH-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-19-18-9-15-14-8-17-10-16(14,15)13-6-5-11(2)12(3)7-13/h5-7,9,14-15,17H,4,8,10H2,1-3H3/b18-9-.
What are the key properties of (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine?
(Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine has a molecular weight of 258.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine is sourced from PubChem (CID 129018704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).