N-(benzylideneamino)-4-nonoxyaniline

C22H30N2O — CID 69412434

IUPACN-(benzylideneamino)-4-nonoxyaniline
SMILESCCCCCCCCCOc1ccc(NN=Cc2ccccc2)cc1
InChIInChI=1S/C22H30N2O/c1-2-3-4-5-6-7-11-18-25-22-16-14-21(15-17-22)24-23-19-20-12-9-8-10-13-20/h8-10,12-17,19,24H,2-7,11,18H2,1H3
InChIKeyBOBRVIIFIOEUOO-UHFFFAOYSA-N
MW338.50 g/mol
LogP6.26
Rot. Bonds12

About N-(benzylideneamino)-4-nonoxyaniline

N-(benzylideneamino)-4-nonoxyaniline (PubChem CID 69412434) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-(benzylideneamino)-4-nonoxyaniline.

Molecular Properties

Compound NameN-(benzylideneamino)-4-nonoxyaniline
PubChem CID69412434
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-(benzylideneamino)-4-nonoxyaniline
SMILESCCCCCCCCCOc1ccc(NN=Cc2ccccc2)cc1
InChIInChI=1S/C22H30N2O/c1-2-3-4-5-6-7-11-18-25-22-16-14-21(15-17-22)24-23-19-20-12-9-8-10-13-20/h8-10,12-17,19,24H,2-7,11,18H2,1H3
InChIKeyBOBRVIIFIOEUOO-UHFFFAOYSA-N
XLogP6.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 56.26
H-Bond Donors ≤ 51
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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Related Compounds

N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
CID 169382049
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline
CID 169381913
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
pentoxybenzene;undecane
CID 174778179
N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110338681
N-[(E)-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]methylideneamino]-4-nitroaniline
CID 177407664

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-nonoxyaniline?
The IUPAC name of N-(benzylideneamino)-4-nonoxyaniline (CID 69412434) is N-(benzylideneamino)-4-nonoxyaniline.
What is the SMILES notation for N-(benzylideneamino)-4-nonoxyaniline?
The canonical SMILES for N-(benzylideneamino)-4-nonoxyaniline is CCCCCCCCCOc1ccc(NN=Cc2ccccc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-nonoxyaniline?
The InChIKey is BOBRVIIFIOEUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-2-3-4-5-6-7-11-18-25-22-16-14-21(15-17-22)24-23-19-20-12-9-8-10-13-20/h8-10,12-17,19,24H,2-7,11,18H2,1H3.
What are the key properties of N-(benzylideneamino)-4-nonoxyaniline?
N-(benzylideneamino)-4-nonoxyaniline has a molecular weight of 338.50 g/mol, XLogP of 6.26, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-nonoxyaniline is sourced from PubChem (CID 69412434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).