3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine

C20H30N2O — CID 173334150

IUPAC3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine
SMILESCC(CON=C1/C(=C/c2ccccc2)CCCC1C)CN(C)C
InChIInChI=1S/C20H30N2O/c1-16(14-22(3)4)15-23-21-20-17(2)9-8-12-19(20)13-18-10-6-5-7-11-18/h5-7,10-11,13,16-17H,8-9,12,14-15H2,1-4H3/b19-13+,21-20?
InChIKeyXOOPUJUGAOQEBA-FZNVHJJGSA-N
MW314.47 g/mol
LogP4.46
Rot. Bonds6

About 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine

3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine (PubChem CID 173334150) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine
PubChem CID173334150
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine
SMILESCC(CON=C1/C(=C/c2ccccc2)CCCC1C)CN(C)C
InChIInChI=1S/C20H30N2O/c1-16(14-22(3)4)15-23-21-20-17(2)9-8-12-19(20)13-18-10-6-5-7-11-18/h5-7,10-11,13,16-17H,8-9,12,14-15H2,1-4H3/b19-13+,21-20?
InChIKeyXOOPUJUGAOQEBA-FZNVHJJGSA-N
XLogP4.46
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine (CID 173334150) is 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine is CC(CON=C1/C(=C/c2ccccc2)CCCC1C)CN(C)C.
What is the InChIKey of 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine?
The InChIKey is XOOPUJUGAOQEBA-FZNVHJJGSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16(14-22(3)4)15-23-21-20-17(2)9-8-12-19(20)13-18-10-6-5-7-11-18/h5-7,10-11,13,16-17H,8-9,12,14-15H2,1-4H3/b19-13+,21-20?.
What are the key properties of 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine?
3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine has a molecular weight of 314.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E)-2-benzylidene-6-methylcyclohexylidene]amino]oxy-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 173334150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).