1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine

C12H20N2 — CID 155030454

IUPAC1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine
SMILESCC(C)C/N=C1\C=CCC2CC2(C)N1
InChIInChI=1S/C12H20N2/c1-9(2)8-13-11-6-4-5-10-7-12(10,3)14-11/h4,6,9-10H,5,7-8H2,1-3H3,(H,13,14)
InChIKeyKCMQRWSYYXWMEG-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.37
Rot. Bonds2

About 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine

1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine (PubChem CID 155030454) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine
PubChem CID155030454
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine
SMILESCC(C)C/N=C1\C=CCC2CC2(C)N1
InChIInChI=1S/C12H20N2/c1-9(2)8-13-11-6-4-5-10-7-12(10,3)14-11/h4,6,9-10H,5,7-8H2,1-3H3,(H,13,14)
InChIKeyKCMQRWSYYXWMEG-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine?
The IUPAC name of 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine (CID 155030454) is 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine.
What is the SMILES notation for 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine?
The canonical SMILES for 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine is CC(C)C/N=C1\C=CCC2CC2(C)N1.
What is the InChIKey of 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine?
The InChIKey is KCMQRWSYYXWMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)8-13-11-6-4-5-10-7-12(10,3)14-11/h4,6,9-10H,5,7-8H2,1-3H3,(H,13,14).
What are the key properties of 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine?
1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine has a molecular weight of 192.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine is sourced from PubChem (CID 155030454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).