N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine

C20H24N2 — CID 12573490

IUPACN-[6-(benzylideneamino)hexyl]-1-phenylmethanimine
SMILESC(=N/CCCCCC/N=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H24N2/c1(9-15-21-17-19-11-5-3-6-12-19)2-10-16-22-18-20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2/b21-17+,22-18+
InChIKeyWOEJOHJAOFCVCI-KSTNYAOJSA-N
MW292.43 g/mol
LogP4.78
Rot. Bonds9

About N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine

N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine (PubChem CID 12573490) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[6-(benzylideneamino)hexyl]-1-phenylmethanimine
PubChem CID12573490
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN-[6-(benzylideneamino)hexyl]-1-phenylmethanimine
SMILESC(=N/CCCCCC/N=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H24N2/c1(9-15-21-17-19-11-5-3-6-12-19)2-10-16-22-18-20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2/b21-17+,22-18+
InChIKeyWOEJOHJAOFCVCI-KSTNYAOJSA-N
XLogP4.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine?
The IUPAC name of N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine (CID 12573490) is N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine.
What is the SMILES notation for N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine?
The canonical SMILES for N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine is C(=N/CCCCCC/N=C/c1ccccc1)\c1ccccc1.
What is the InChIKey of N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine?
The InChIKey is WOEJOHJAOFCVCI-KSTNYAOJSA-N. The full InChI is InChI=1S/C20H24N2/c1(9-15-21-17-19-11-5-3-6-12-19)2-10-16-22-18-20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2/b21-17+,22-18+.
What are the key properties of N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine?
N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine has a molecular weight of 292.43 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylideneamino)hexyl]-1-phenylmethanimine is sourced from PubChem (CID 12573490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).