N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine

C11H21NO — CID 70223116

IUPACN-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine
SMILESCCNCCOC1C=CC(C)CC1
InChIInChI=1S/C11H21NO/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyIVIJZLAHCKGHEE-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine

N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine (PubChem CID 70223116) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine
PubChem CID70223116
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine
SMILESCCNCCOC1C=CC(C)CC1
InChIInChI=1S/C11H21NO/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyIVIJZLAHCKGHEE-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine?
The IUPAC name of N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine (CID 70223116) is N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine.
What is the SMILES notation for N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine?
The canonical SMILES for N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine is CCNCCOC1C=CC(C)CC1.
What is the InChIKey of N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine?
The InChIKey is IVIJZLAHCKGHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h4,6,10-12H,3,5,7-9H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine?
N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine is sourced from PubChem (CID 70223116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).