6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine

C19H27NO — CID 101007897

IUPAC6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine
SMILESCCOC/C=C(/c1ccccc1)C1CCCC=C1N(C)C
InChIInChI=1S/C19H27NO/c1-4-21-15-14-17(16-10-6-5-7-11-16)18-12-8-9-13-19(18)20(2)3/h5-7,10-11,13-14,18H,4,8-9,12,15H2,1-3H3/b17-14-
InChIKeyRSYGPXHUEHEAOZ-VKAVYKQESA-N
MW285.43 g/mol
LogP4.35
Rot. Bonds6

About 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine

6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine (PubChem CID 101007897) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine.

Molecular Properties

Compound Name6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine
PubChem CID101007897
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine
SMILESCCOC/C=C(/c1ccccc1)C1CCCC=C1N(C)C
InChIInChI=1S/C19H27NO/c1-4-21-15-14-17(16-10-6-5-7-11-16)18-12-8-9-13-19(18)20(2)3/h5-7,10-11,13-14,18H,4,8-9,12,15H2,1-3H3/b17-14-
InChIKeyRSYGPXHUEHEAOZ-VKAVYKQESA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine?
The IUPAC name of 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine (CID 101007897) is 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine.
What is the SMILES notation for 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine?
The canonical SMILES for 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine is CCOC/C=C(/c1ccccc1)C1CCCC=C1N(C)C.
What is the InChIKey of 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine?
The InChIKey is RSYGPXHUEHEAOZ-VKAVYKQESA-N. The full InChI is InChI=1S/C19H27NO/c1-4-21-15-14-17(16-10-6-5-7-11-16)18-12-8-9-13-19(18)20(2)3/h5-7,10-11,13-14,18H,4,8-9,12,15H2,1-3H3/b17-14-.
What are the key properties of 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine?
6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine is sourced from PubChem (CID 101007897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).