N,N-dibenzylcyclohex-2-en-1-amine oxide

C20H23NO — CID 91550132

IUPACN,N-dibenzylcyclohex-2-en-1-amine oxide
SMILES[O-][N+](Cc1ccccc1)(Cc1ccccc1)C1C=CCCC1
InChIInChI=1S/C20H23NO/c22-21(20-14-8-3-9-15-20,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-2,4-8,10-14,20H,3,9,15-17H2
InChIKeyKEDCIQYUVHOPIN-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.81
Rot. Bonds5

About N,N-dibenzylcyclohex-2-en-1-amine oxide

N,N-dibenzylcyclohex-2-en-1-amine oxide (PubChem CID 91550132) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N,N-dibenzylcyclohex-2-en-1-amine oxide.

Molecular Properties

Compound NameN,N-dibenzylcyclohex-2-en-1-amine oxide
PubChem CID91550132
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN,N-dibenzylcyclohex-2-en-1-amine oxide
SMILES[O-][N+](Cc1ccccc1)(Cc1ccccc1)C1C=CCCC1
InChIInChI=1S/C20H23NO/c22-21(20-14-8-3-9-15-20,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-2,4-8,10-14,20H,3,9,15-17H2
InChIKeyKEDCIQYUVHOPIN-UHFFFAOYSA-N
XLogP4.81
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylcyclohex-2-en-1-amine oxide?
The IUPAC name of N,N-dibenzylcyclohex-2-en-1-amine oxide (CID 91550132) is N,N-dibenzylcyclohex-2-en-1-amine oxide.
What is the SMILES notation for N,N-dibenzylcyclohex-2-en-1-amine oxide?
The canonical SMILES for N,N-dibenzylcyclohex-2-en-1-amine oxide is [O-][N+](Cc1ccccc1)(Cc1ccccc1)C1C=CCCC1.
What is the InChIKey of N,N-dibenzylcyclohex-2-en-1-amine oxide?
The InChIKey is KEDCIQYUVHOPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c22-21(20-14-8-3-9-15-20,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-2,4-8,10-14,20H,3,9,15-17H2.
What are the key properties of N,N-dibenzylcyclohex-2-en-1-amine oxide?
N,N-dibenzylcyclohex-2-en-1-amine oxide has a molecular weight of 293.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylcyclohex-2-en-1-amine oxide is sourced from PubChem (CID 91550132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).