N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine

C17H22N2O — CID 6857941

IUPACN,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine
SMILESCCN(CC)CCO/N=C/c1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)12-13-20-18-14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,3-4,12-13H2,1-2H3/b18-14+
InChIKeyDGTWTHXGBNBEIQ-NBVRZTHBSA-N
MW270.38 g/mol
LogP3.53
Rot. Bonds7

About N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine

N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine (PubChem CID 6857941) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine
PubChem CID6857941
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine
SMILESCCN(CC)CCO/N=C/c1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)12-13-20-18-14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,3-4,12-13H2,1-2H3/b18-14+
InChIKeyDGTWTHXGBNBEIQ-NBVRZTHBSA-N
XLogP3.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine (CID 6857941) is N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine is CCN(CC)CCO/N=C/c1cccc2ccccc12.
What is the InChIKey of N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine?
The InChIKey is DGTWTHXGBNBEIQ-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19(4-2)12-13-20-18-14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,3-4,12-13H2,1-2H3/b18-14+.
What are the key properties of N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine?
N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(E)-naphthalen-1-ylmethylideneamino]oxyethanamine is sourced from PubChem (CID 6857941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).