N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine

C11H19N — CID 143601094

IUPACN-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine
SMILESC/C=N/C1C(C)=C(C)CCC1C
InChIInChI=1S/C11H19N/c1-5-12-11-9(3)7-6-8(2)10(11)4/h5,9,11H,6-7H2,1-4H3/b12-5+
InChIKeyBSYRMLMPFXDDAG-LFYBBSHMSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds1

About N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine

N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine (PubChem CID 143601094) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine.

Molecular Properties

Compound NameN-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine
PubChem CID143601094
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine
SMILESC/C=N/C1C(C)=C(C)CCC1C
InChIInChI=1S/C11H19N/c1-5-12-11-9(3)7-6-8(2)10(11)4/h5,9,11H,6-7H2,1-4H3/b12-5+
InChIKeyBSYRMLMPFXDDAG-LFYBBSHMSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
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-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine?
The IUPAC name of N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine (CID 143601094) is N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine.
What is the SMILES notation for N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine?
The canonical SMILES for N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine is C/C=N/C1C(C)=C(C)CCC1C.
What is the InChIKey of N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine?
The InChIKey is BSYRMLMPFXDDAG-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H19N/c1-5-12-11-9(3)7-6-8(2)10(11)4/h5,9,11H,6-7H2,1-4H3/b12-5+.
What are the key properties of N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine?
N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine is sourced from PubChem (CID 143601094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).