1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine

C7H12N2 — CID 123404478

IUPAC1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine
SMILESC/N=C/C12CNCC1C2
InChIInChI=1S/C7H12N2/c1-8-4-7-2-6(7)3-9-5-7/h4,6,9H,2-3,5H2,1H3/b8-4+
InChIKeyXOPMHBSEPJIOBZ-XBXARRHUSA-N
MW124.19 g/mol
LogP0.30
Rot. Bonds1

About 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine

1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine (PubChem CID 123404478) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine
PubChem CID123404478
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine
SMILESC/N=C/C12CNCC1C2
InChIInChI=1S/C7H12N2/c1-8-4-7-2-6(7)3-9-5-7/h4,6,9H,2-3,5H2,1H3/b8-4+
InChIKeyXOPMHBSEPJIOBZ-XBXARRHUSA-N
XLogP0.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine (CID 123404478) is 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine is C/N=C/C12CNCC1C2.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine?
The InChIKey is XOPMHBSEPJIOBZ-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-4-7-2-6(7)3-9-5-7/h4,6,9H,2-3,5H2,1H3/b8-4+.
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine?
1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine has a molecular weight of 124.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine is sourced from PubChem (CID 123404478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).