N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine

C13H25N — CID 166932990

IUPACN-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine
SMILESCC/N=C(\C)C1(C)C(C)CCCC1C
InChIInChI=1S/C13H25N/c1-6-14-12(4)13(5)10(2)8-7-9-11(13)3/h10-11H,6-9H2,1-5H3/b14-12+
InChIKeyNEQROYSNJQPDCP-WYMLVPIESA-N
MW195.35 g/mol
LogP3.93
Rot. Bonds2

About N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine

N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine (PubChem CID 166932990) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine.

Molecular Properties

Compound NameN-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine
PubChem CID166932990
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine
SMILESCC/N=C(\C)C1(C)C(C)CCCC1C
InChIInChI=1S/C13H25N/c1-6-14-12(4)13(5)10(2)8-7-9-11(13)3/h10-11H,6-9H2,1-5H3/b14-12+
InChIKeyNEQROYSNJQPDCP-WYMLVPIESA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.93
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-1-(1,2,6-trimethylcyclohexyl)ethanimine?
The IUPAC name of N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine (CID 166932990) is N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine.
What is the SMILES notation for N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine?
The canonical SMILES for N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine is CC/N=C(\C)C1(C)C(C)CCCC1C.
What is the InChIKey of N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine?
The InChIKey is NEQROYSNJQPDCP-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25N/c1-6-14-12(4)13(5)10(2)8-7-9-11(13)3/h10-11H,6-9H2,1-5H3/b14-12+.
What are the key properties of N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine?
N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine has a molecular weight of 195.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,2,6-trimethylcyclohexyl)ethanimine is sourced from PubChem (CID 166932990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).