6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine

C21H32N2O — CID 56616499

IUPAC6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine
SMILESCC(C)N(CCONC1=CCCCC1=Cc1ccccc1)C(C)C
InChIInChI=1S/C21H32N2O/c1-17(2)23(18(3)4)14-15-24-22-21-13-9-8-12-20(21)16-19-10-6-5-7-11-19/h5-7,10-11,13,16-18,22H,8-9,12,14-15H2,1-4H3
InChIKeyOHHPJHGJABHLSU-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.78
Rot. Bonds8

About 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine

6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine (PubChem CID 56616499) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine.

Molecular Properties

Compound Name6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine
PubChem CID56616499
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine
SMILESCC(C)N(CCONC1=CCCCC1=Cc1ccccc1)C(C)C
InChIInChI=1S/C21H32N2O/c1-17(2)23(18(3)4)14-15-24-22-21-13-9-8-12-20(21)16-19-10-6-5-7-11-19/h5-7,10-11,13,16-18,22H,8-9,12,14-15H2,1-4H3
InChIKeyOHHPJHGJABHLSU-UHFFFAOYSA-N
XLogP4.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.78
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
Butyloxybenzylidene octylaniline
CID 129673567
2-(benzylamino)oxy-N,N-diethylethanamine
CID 134994507
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
1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57265218
Butoxybenzylidene nonylaniline
CID 129670633
Butyloxybenzylidene heptylaniline
CID 129677955
Butoxybenzylidene butylaniline
CID 129692823
Pentoxy-benzylidene-hexylaniline
CID 129722128
Butoxy benzylidene pentylaniline
CID 129728763

Frequently Asked Questions

What is the IUPAC name of 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine?
The IUPAC name of 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine (CID 56616499) is 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine.
What is the SMILES notation for 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine?
The canonical SMILES for 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine is CC(C)N(CCONC1=CCCCC1=Cc1ccccc1)C(C)C.
What is the InChIKey of 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine?
The InChIKey is OHHPJHGJABHLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-17(2)23(18(3)4)14-15-24-22-21-13-9-8-12-20(21)16-19-10-6-5-7-11-19/h5-7,10-11,13,16-18,22H,8-9,12,14-15H2,1-4H3.
What are the key properties of 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine?
6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine has a molecular weight of 328.50 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine is sourced from PubChem (CID 56616499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).