1-(4-butoxyphenyl)-N-ethenylmethanimine

C13H17NO — CID 59143707

IUPAC1-(4-butoxyphenyl)-N-ethenylmethanimine
SMILESC=C/N=C/c1ccc(OCCCC)cc1
InChIInChI=1S/C13H17NO/c1-3-5-10-15-13-8-6-12(7-9-13)11-14-4-2/h4,6-9,11H,2-3,5,10H2,1H3/b14-11+
InChIKeyVPLFEXKQWKYFGE-SDNWHVSQSA-N
MW203.28 g/mol
LogP3.43
Rot. Bonds6

About 1-(4-butoxyphenyl)-N-ethenylmethanimine

1-(4-butoxyphenyl)-N-ethenylmethanimine (PubChem CID 59143707) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-N-ethenylmethanimine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-N-ethenylmethanimine
PubChem CID59143707
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(4-butoxyphenyl)-N-ethenylmethanimine
SMILESC=C/N=C/c1ccc(OCCCC)cc1
InChIInChI=1S/C13H17NO/c1-3-5-10-15-13-8-6-12(7-9-13)11-14-4-2/h4,6-9,11H,2-3,5,10H2,1H3/b14-11+
InChIKeyVPLFEXKQWKYFGE-SDNWHVSQSA-N
XLogP3.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.43
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'}

Analyze 1-(4-butoxyphenyl)-N-ethenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine
CID 67895495
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
10-[4-[(4-butoxyphenyl)iminomethyl]phenoxy]decyl-trimethylazanium
CID 102068166
7-[4-[(4-butoxyphenyl)iminomethyl]phenoxy]heptyl-trimethylazanium
CID 102068165
1-butoxy-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 167030876
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-N-ethenylmethanimine?
The IUPAC name of 1-(4-butoxyphenyl)-N-ethenylmethanimine (CID 59143707) is 1-(4-butoxyphenyl)-N-ethenylmethanimine.
What is the SMILES notation for 1-(4-butoxyphenyl)-N-ethenylmethanimine?
The canonical SMILES for 1-(4-butoxyphenyl)-N-ethenylmethanimine is C=C/N=C/c1ccc(OCCCC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-N-ethenylmethanimine?
The InChIKey is VPLFEXKQWKYFGE-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-5-10-15-13-8-6-12(7-9-13)11-14-4-2/h4,6-9,11H,2-3,5,10H2,1H3/b14-11+.
What are the key properties of 1-(4-butoxyphenyl)-N-ethenylmethanimine?
1-(4-butoxyphenyl)-N-ethenylmethanimine has a molecular weight of 203.28 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-N-ethenylmethanimine is sourced from PubChem (CID 59143707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).