N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine

C12H19N — CID 89229664

IUPACN-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine
SMILESC/N=C/C1(C)C=C(C)C2C(C)CC21
InChIInChI=1S/C12H19N/c1-8-5-10-11(8)9(2)6-12(10,3)7-13-4/h6-8,10-11H,5H2,1-4H3/b13-7+
InChIKeyOGRDUAYWCYJUPK-NTUHNPAUSA-N
MW177.29 g/mol
LogP2.93
Rot. Bonds1

About N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine

N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine (PubChem CID 89229664) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine
PubChem CID89229664
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine
SMILESC/N=C/C1(C)C=C(C)C2C(C)CC21
InChIInChI=1S/C12H19N/c1-8-5-10-11(8)9(2)6-12(10,3)7-13-4/h6-8,10-11H,5H2,1-4H3/b13-7+
InChIKeyOGRDUAYWCYJUPK-NTUHNPAUSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine?
The IUPAC name of N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine (CID 89229664) is N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine.
What is the SMILES notation for N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine?
The canonical SMILES for N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine is C/N=C/C1(C)C=C(C)C2C(C)CC21.
What is the InChIKey of N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine?
The InChIKey is OGRDUAYWCYJUPK-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H19N/c1-8-5-10-11(8)9(2)6-12(10,3)7-13-4/h6-8,10-11H,5H2,1-4H3/b13-7+.
What are the key properties of N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine?
N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine has a molecular weight of 177.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,6-trimethyl-2-bicyclo[3.2.0]hept-3-enyl)methanimine is sourced from PubChem (CID 89229664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).