(E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine

C28H28N2O2 — CID 139075041

IUPAC(E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine
SMILESC(=N/OCCCCCCO/N=C/c1cccc2ccccc12)\c1cccc2ccccc12
InChIInChI=1S/C28H28N2O2/c1(7-19-31-29-21-25-15-9-13-23-11-3-5-17-27(23)25)2-8-20-32-30-22-26-16-10-14-24-12-4-6-18-28(24)26/h3-6,9-18,21-22H,1-2,7-8,19-20H2/b29-21+,30-22+
InChIKeySBHQKAPUJYXISR-VFIVCBTMSA-N
MW424.54 g/mol
LogP6.95
Rot. Bonds11

About (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine

(E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine (PubChem CID 139075041) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine.

Molecular Properties

Compound Name(E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine
PubChem CID139075041
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name(E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine
SMILESC(=N/OCCCCCCO/N=C/c1cccc2ccccc12)\c1cccc2ccccc12
InChIInChI=1S/C28H28N2O2/c1(7-19-31-29-21-25-15-9-13-23-11-3-5-17-27(23)25)2-8-20-32-30-22-26-16-10-14-24-12-4-6-18-28(24)26/h3-6,9-18,21-22H,1-2,7-8,19-20H2/b29-21+,30-22+
InChIKeySBHQKAPUJYXISR-VFIVCBTMSA-N
XLogP6.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
[(Z)-naphthalen-1-ylmethylideneamino] acetate
CID 100995870
(E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine
CID 22086741
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
1-naphthalen-1-yl-N-propan-2-ylmethanimine
CID 10352682
N-[(E)-naphthalen-1-ylmethylideneamino]methanamine
CID 110337745
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]propan-2-amine
CID 22891976
(E)-N-octoxy-1-phenylmethanimine
CID 25012804
(E)-N-heptoxy-1-phenylmethanimine
CID 11241455
[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
CID 101383681
3,6-bis[(E)-2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]benzene-1,2-diol
CID 139118549
N-(naphthalen-1-ylmethylidene)sulfamoyl fluoride
CID 175231621

Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine?
The IUPAC name of (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine (CID 139075041) is (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine.
What is the SMILES notation for (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine?
The canonical SMILES for (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine is C(=N/OCCCCCCO/N=C/c1cccc2ccccc12)\c1cccc2ccccc12.
What is the InChIKey of (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine?
The InChIKey is SBHQKAPUJYXISR-VFIVCBTMSA-N. The full InChI is InChI=1S/C28H28N2O2/c1(7-19-31-29-21-25-15-9-13-23-11-3-5-17-27(23)25)2-8-20-32-30-22-26-16-10-14-24-12-4-6-18-28(24)26/h3-6,9-18,21-22H,1-2,7-8,19-20H2/b29-21+,30-22+.
What are the key properties of (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine?
(E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine has a molecular weight of 424.54 g/mol, XLogP of 6.95, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine is sourced from PubChem (CID 139075041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).