N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine

C11H19N — CID 123820965

IUPACN-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine
SMILESCC/N=C1\C(C)=CC(C)CC1C
InChIInChI=1S/C11H19N/c1-5-12-11-9(3)6-8(2)7-10(11)4/h6,8,10H,5,7H2,1-4H3/b12-11+
InChIKeyTUWZEKBLRHBLSI-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds1

About N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine

N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine (PubChem CID 123820965) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine
PubChem CID123820965
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine
SMILESCC/N=C1\C(C)=CC(C)CC1C
InChIInChI=1S/C11H19N/c1-5-12-11-9(3)6-8(2)7-10(11)4/h6,8,10H,5,7H2,1-4H3/b12-11+
InChIKeyTUWZEKBLRHBLSI-VAWYXSNFSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine?
The IUPAC name of N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine (CID 123820965) is N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine.
What is the SMILES notation for N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine?
The canonical SMILES for N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine is CC/N=C1\C(C)=CC(C)CC1C.
What is the InChIKey of N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine?
The InChIKey is TUWZEKBLRHBLSI-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-5-12-11-9(3)6-8(2)7-10(11)4/h6,8,10H,5,7H2,1-4H3/b12-11+.
What are the key properties of N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine?
N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,6-trimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 123820965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).