6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine

C18H26N2O — CID 56635333

IUPAC6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
SMILESCC(C)NCCONC1=CCCCC1=Cc1ccccc1
InChIInChI=1S/C18H26N2O/c1-15(2)19-12-13-21-20-18-11-7-6-10-17(18)14-16-8-4-3-5-9-16/h3-5,8-9,11,14-15,19-20H,6-7,10,12-13H2,1-2H3
InChIKeyHJZCJCLORNOHHL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.66
Rot. Bonds7

About 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine

6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine (PubChem CID 56635333) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine.

Molecular Properties

Compound Name6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
PubChem CID56635333
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
SMILESCC(C)NCCONC1=CCCCC1=Cc1ccccc1
InChIInChI=1S/C18H26N2O/c1-15(2)19-12-13-21-20-18-11-7-6-10-17(18)14-16-8-4-3-5-9-16/h3-5,8-9,11,14-15,19-20H,6-7,10,12-13H2,1-2H3
InChIKeyHJZCJCLORNOHHL-UHFFFAOYSA-N
XLogP3.66
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
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
N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine
CID 56975572
Butoxy benzylidene pentylaniline
CID 129728763
Ethoxybenzylidene-butylaniline
CID 129772647
2-(benzhydrylamino)oxy-N,N-diethylethanamine
CID 134926908
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
N-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]propan-2-amine
CID 53993712
6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56613448
8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine
CID 56613452

Frequently Asked Questions

What is the IUPAC name of 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine?
The IUPAC name of 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine (CID 56635333) is 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine.
What is the SMILES notation for 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine?
The canonical SMILES for 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine is CC(C)NCCONC1=CCCCC1=Cc1ccccc1.
What is the InChIKey of 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine?
The InChIKey is HJZCJCLORNOHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15(2)19-12-13-21-20-18-11-7-6-10-17(18)14-16-8-4-3-5-9-16/h3-5,8-9,11,14-15,19-20H,6-7,10,12-13H2,1-2H3.
What are the key properties of 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine?
6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine is sourced from PubChem (CID 56635333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).