8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine

C20H30N2O — CID 56613452

IUPAC8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine
SMILESCN(C)CCCONC1=CCCCCCC1=Cc1ccccc1
InChIInChI=1S/C20H30N2O/c1-22(2)15-10-16-23-21-20-14-9-4-3-8-13-19(20)17-18-11-6-5-7-12-18/h5-7,11-12,14,17,21H,3-4,8-10,13,15-16H2,1-2H3
InChIKeyFUFNQFXOWZPAIG-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.39
Rot. Bonds7

About 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine

8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine (PubChem CID 56613452) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine.

Molecular Properties

Compound Name8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine
PubChem CID56613452
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine
SMILESCN(C)CCCONC1=CCCCCCC1=Cc1ccccc1
InChIInChI=1S/C20H30N2O/c1-22(2)15-10-16-23-21-20-14-9-4-3-8-13-19(20)17-18-11-6-5-7-12-18/h5-7,11-12,14,17,21H,3-4,8-10,13,15-16H2,1-2H3
InChIKeyFUFNQFXOWZPAIG-UHFFFAOYSA-N
XLogP4.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.39
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
N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine
CID 56975572
N-[(2R)-3-(dimethylamino)-2-methylpropoxy]-6-[(4-fluorophenyl)methylidene]-2-methylcyclohexen-1-amine
CID 57142195
1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57265218
3-(benzylamino)oxy-N,N-dimethylpropan-1-amine
CID 22436703
3-(benzylamino)oxy-N,N-diethylpropan-1-amine
CID 22436704
6-[dimethylamino(phenyl)methylidene]-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53736280
6-benzylidene-N-butyl-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53813443
6-benzylidene-N-butyl-N-methoxycyclohexa-1,3-dien-1-amine
CID 53886640
6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine
CID 54136530
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

Frequently Asked Questions

What is the IUPAC name of 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine?
The IUPAC name of 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine (CID 56613452) is 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine.
What is the SMILES notation for 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine?
The canonical SMILES for 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine is CN(C)CCCONC1=CCCCCCC1=Cc1ccccc1.
What is the InChIKey of 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine?
The InChIKey is FUFNQFXOWZPAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-22(2)15-10-16-23-21-20-14-9-4-3-8-13-19(20)17-18-11-6-5-7-12-18/h5-7,11-12,14,17,21H,3-4,8-10,13,15-16H2,1-2H3.
What are the key properties of 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine?
8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine has a molecular weight of 314.47 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine is sourced from PubChem (CID 56613452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).