2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine

C23H31NO2 — CID 54847652

IUPAC2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCOCCOc1ccc2ccccc2c1CNCCC1=CCCCC1
InChIInChI=1S/C23H31NO2/c1-2-25-16-17-26-23-13-12-20-10-6-7-11-21(20)22(23)18-24-15-14-19-8-4-3-5-9-19/h6-8,10-13,24H,2-5,9,14-18H2,1H3
InChIKeyCFHPQAWSAHJNAA-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.24
Rot. Bonds10

About 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine

2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine (PubChem CID 54847652) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine
PubChem CID54847652
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCOCCOc1ccc2ccccc2c1CNCCC1=CCCCC1
InChIInChI=1S/C23H31NO2/c1-2-25-16-17-26-23-13-12-20-10-6-7-11-21(20)22(23)18-24-15-14-19-8-4-3-5-9-19/h6-8,10-13,24H,2-5,9,14-18H2,1H3
InChIKeyCFHPQAWSAHJNAA-UHFFFAOYSA-N
XLogP5.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17210155
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 17210034
N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine
CID 54849787
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807924
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 102536565

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine (CID 54847652) is 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine is CCOCCOc1ccc2ccccc2c1CNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine?
The InChIKey is CFHPQAWSAHJNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-2-25-16-17-26-23-13-12-20-10-6-7-11-21(20)22(23)18-24-15-14-19-8-4-3-5-9-19/h6-8,10-13,24H,2-5,9,14-18H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine has a molecular weight of 353.51 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 54847652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).