2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine

C12H23NO — CID 60690966

IUPAC2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c1-2-14-11-10-13-9-8-12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3
InChIKeyXGFJIQKYWCOPBS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine

2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine (PubChem CID 60690966) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine
PubChem CID60690966
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c1-2-14-11-10-13-9-8-12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3
InChIKeyXGFJIQKYWCOPBS-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine (CID 60690966) is 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine is CCOCCNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine?
The InChIKey is XGFJIQKYWCOPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-14-11-10-13-9-8-12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 60690966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).