1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine

C27H47NO2 — CID 3094006

IUPAC1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
SMILESCCCCCCCCCCCCCCCCCC/N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24-25-20-21-26(29-2)27(23-25)30-3/h20-21,23-24H,4-19,22H2,1-3H3/b28-24+
InChIKeyHNYZYMDJMVNFIH-ZZIIXHQDSA-N
MW417.68 g/mol
LogP8.38
Rot. Bonds20

About 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine

1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine (PubChem CID 3094006) has the molecular formula C27H47NO2 and a molecular weight of 417.68 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
PubChem CID3094006
Molecular FormulaC27H47NO2
Molecular Weight417.68 g/mol
Exact Mass417.36
IUPAC Name1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
SMILESCCCCCCCCCCCCCCCCCC/N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24-25-20-21-26(29-2)27(23-25)30-3/h20-21,23-24H,4-19,22H2,1-3H3/b28-24+
InChIKeyHNYZYMDJMVNFIH-ZZIIXHQDSA-N
XLogP8.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 58.38
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'}

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Related Compounds

4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234
3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine
CID 70090398
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617
1-(3-methoxy-4-octoxyphenyl)-N-[4-[(3-methoxy-4-octoxyphenyl)methylideneamino]phenyl]methanimine
CID 102253343
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
2-[(3,4-dimethoxyphenyl)methylideneamino]ethanesulfonic acid
CID 170554767
potassium 2-[(3,4-dimethoxyphenyl)methylideneamino]ethanesulfonate
CID 170554766
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
(3-butoxy-4-methoxyphenyl)methylidenehydrazine
CID 168529239

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine (CID 3094006) is 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine is CCCCCCCCCCCCCCCCCC/N=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine?
The InChIKey is HNYZYMDJMVNFIH-ZZIIXHQDSA-N. The full InChI is InChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24-25-20-21-26(29-2)27(23-25)30-3/h20-21,23-24H,4-19,22H2,1-3H3/b28-24+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine?
1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine has a molecular weight of 417.68 g/mol, XLogP of 8.38, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine is sourced from PubChem (CID 3094006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).