7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine

C18H26N2O — CID 56632806

IUPAC7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine
SMILESCN(C)CCONC1=CCCCCC1=Cc1ccccc1
InChIInChI=1S/C18H26N2O/c1-20(2)13-14-21-19-18-12-8-4-7-11-17(18)15-16-9-5-3-6-10-16/h3,5-6,9-10,12,15,19H,4,7-8,11,13-14H2,1-2H3
InChIKeyXHHFMUPIXFWTHS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.61
Rot. Bonds6

About 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine

7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine (PubChem CID 56632806) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine.

Molecular Properties

Compound Name7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine
PubChem CID56632806
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine
SMILESCN(C)CCONC1=CCCCCC1=Cc1ccccc1
InChIInChI=1S/C18H26N2O/c1-20(2)13-14-21-19-18-12-8-4-7-11-17(18)15-16-9-5-3-6-10-16/h3,5-6,9-10,12,15,19H,4,7-8,11,13-14H2,1-2H3
InChIKeyXHHFMUPIXFWTHS-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.61
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
2-(benzylamino)oxy-N,N-diethylethanamine
CID 134994507
o-(2-Dimethylamino-ethyl)-n-(4-fluorobenzyl)-hydroxylamine
CID 23499563
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
6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine
CID 57246196
2-(benzylamino)oxy-N,N-dimethylethanamine
CID 17845633
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
8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine
CID 56613452

Frequently Asked Questions

What is the IUPAC name of 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine?
The IUPAC name of 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine (CID 56632806) is 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine.
What is the SMILES notation for 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine?
The canonical SMILES for 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine is CN(C)CCONC1=CCCCCC1=Cc1ccccc1.
What is the InChIKey of 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine?
The InChIKey is XHHFMUPIXFWTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20(2)13-14-21-19-18-12-8-4-7-11-17(18)15-16-9-5-3-6-10-16/h3,5-6,9-10,12,15,19H,4,7-8,11,13-14H2,1-2H3.
What are the key properties of 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine?
7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine is sourced from PubChem (CID 56632806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).