N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine

C24H37FN2O — CID 56975572

IUPACN-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine
SMILESCCCCCCCC1=C(NOCCN(C)C)C(=Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C24H37FN2O/c1-4-5-6-7-8-10-21-11-9-12-22(19-20-13-15-23(25)16-14-20)24(21)26-28-18-17-27(2)3/h13-16,19,26H,4-12,17-18H2,1-3H3
InChIKeyIJECJTGFINEHAR-UHFFFAOYSA-N
MW388.57 g/mol
LogP6.09
Rot. Bonds12

About N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine

N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine (PubChem CID 56975572) has the molecular formula C24H37FN2O and a molecular weight of 388.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine
PubChem CID56975572
Molecular FormulaC24H37FN2O
Molecular Weight388.57 g/mol
Exact Mass388.29
IUPAC NameN-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine
SMILESCCCCCCCC1=C(NOCCN(C)C)C(=Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C24H37FN2O/c1-4-5-6-7-8-10-21-11-9-12-22(19-20-13-15-23(25)16-14-20)24(21)26-28-18-17-27(2)3/h13-16,19,26H,4-12,17-18H2,1-3H3
InChIKeyIJECJTGFINEHAR-UHFFFAOYSA-N
XLogP6.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.57
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-benzylidene-N-butoxy-N-octylcyclohexa-1,3-dien-1-amine
CID 54156813
o-(2-Dimethylamino-ethyl)-n-(4-fluorobenzyl)-hydroxylamine
CID 23499563
N-[2-(4-benzylpiperazin-1-yl)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-pentylcyclohexen-1-amine
CID 57129640
N-[(2R)-3-(dimethylamino)-2-methylpropoxy]-6-[(4-fluorophenyl)methylidene]-2-methylcyclohexen-1-amine
CID 57142195
N-[2-[(2R)-2-benzylpiperazin-1-yl]ethoxy]-6-[(4-fluorophenyl)methylidene]-2-pentylcyclohexen-1-amine
CID 57239588
6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine
CID 57246196
1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57265218
6-[dimethylamino(phenyl)methylidene]-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53736280
8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine
CID 56613452
6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine
CID 56616499
7-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohepten-1-amine
CID 56619636
2-benzyl-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine
CID 56620102

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine?
The IUPAC name of N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine (CID 56975572) is N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine.
What is the SMILES notation for N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine?
The canonical SMILES for N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine is CCCCCCCC1=C(NOCCN(C)C)C(=Cc2ccc(F)cc2)CCC1.
What is the InChIKey of N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine?
The InChIKey is IJECJTGFINEHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN2O/c1-4-5-6-7-8-10-21-11-9-12-22(19-20-13-15-23(25)16-14-20)24(21)26-28-18-17-27(2)3/h13-16,19,26H,4-12,17-18H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine?
N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine has a molecular weight of 388.57 g/mol, XLogP of 6.09, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine is sourced from PubChem (CID 56975572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).