6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine

C21H30N2O2 — CID 57303958

IUPAC6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine
SMILESCC1=C(NOCCCN2CCOCC2)C(=Cc2ccccc2)CCC1
InChIInChI=1S/C21H30N2O2/c1-18-7-5-10-20(17-19-8-3-2-4-9-19)21(18)22-25-14-6-11-23-12-15-24-16-13-23/h2-4,8-9,17,22H,5-7,10-16H2,1H3
InChIKeyARFANQGFSQLSFR-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.77
Rot. Bonds7

About 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine

6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine (PubChem CID 57303958) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine.

Molecular Properties

Compound Name6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine
PubChem CID57303958
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine
SMILESCC1=C(NOCCCN2CCOCC2)C(=Cc2ccccc2)CCC1
InChIInChI=1S/C21H30N2O2/c1-18-7-5-10-20(17-19-8-3-2-4-9-19)21(18)22-25-14-6-11-23-12-15-24-16-13-23/h2-4,8-9,17,22H,5-7,10-16H2,1H3
InChIKeyARFANQGFSQLSFR-UHFFFAOYSA-N
XLogP3.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-methoxymethanimine
CID 72030694
4-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)morpholine
CID 15557565
n-(4-Fluorobenzyl)-o-(3-morpholin-4-yl-propyl)-hydroxylamine
CID 21947550
N-[(2R)-3-(dimethylamino)-2-methylpropoxy]-6-[(4-fluorophenyl)methylidene]-2-methylcyclohexen-1-amine
CID 57142195
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
(3E)-4-(2,6-difluorophenyl)-N-[1-(5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)propyl]buta-1,3-dien-2-amine
CID 142190208
4-(4-Phenylbut-1-en-2-yl)morpholine
CID 11367942
4-(2-Methyl-1-phenylprop-1-enyl)morpholine
CID 13244599
4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine
CID 14595085
4-(2-Nitro-1,2-diphenylethenyl)morpholine
CID 71333011
(E)-4-(1-Phenylhex-1-en-1-yl)morpholine
CID 86278533

Frequently Asked Questions

What is the IUPAC name of 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine?
The IUPAC name of 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine (CID 57303958) is 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine.
What is the SMILES notation for 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine?
The canonical SMILES for 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine is CC1=C(NOCCCN2CCOCC2)C(=Cc2ccccc2)CCC1.
What is the InChIKey of 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine?
The InChIKey is ARFANQGFSQLSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-18-7-5-10-20(17-19-8-3-2-4-9-19)21(18)22-25-14-6-11-23-12-15-24-16-13-23/h2-4,8-9,17,22H,5-7,10-16H2,1H3.
What are the key properties of 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine?
6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine has a molecular weight of 342.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine is sourced from PubChem (CID 57303958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).