N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine

C13H17NO — CID 169264096

IUPACN-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine
SMILESC=Cc1cc(C)c(OCCC)cc1N=C
InChIInChI=1S/C13H17NO/c1-5-7-15-13-9-12(14-4)11(6-2)8-10(13)3/h6,8-9H,2,4-5,7H2,1,3H3
InChIKeyWXBBACUGLNTXHX-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.76
Rot. Bonds5

About N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine

N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine (PubChem CID 169264096) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine
PubChem CID169264096
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine
SMILESC=Cc1cc(C)c(OCCC)cc1N=C
InChIInChI=1S/C13H17NO/c1-5-7-15-13-9-12(14-4)11(6-2)8-10(13)3/h6,8-9H,2,4-5,7H2,1,3H3
InChIKeyWXBBACUGLNTXHX-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethenyl-4,5-dimethylphenyl)methanimine
CID 177137027
1-ethenyl-2-methyl-4-nitro-5-propoxybenzene
CID 67071026
4-[(E)-2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]-2,5-dipropoxybenzaldehyde
CID 101039108
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
5-ethenyl-1,2,3-tripropoxybenzene
CID 102253106
N-(4-ethenyl-6-ethyl-3-pyridinyl)methanimine
CID 145293598
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
(3-methyl-4-propoxyphenyl)methylidenehydrazine
CID 168529274
1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
2,5-dimethyl-4-propoxybenzenesulfonyl chloride
CID 43134395

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine?
The IUPAC name of N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine (CID 169264096) is N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine.
What is the SMILES notation for N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine?
The canonical SMILES for N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine is C=Cc1cc(C)c(OCCC)cc1N=C.
What is the InChIKey of N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine?
The InChIKey is WXBBACUGLNTXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-5-7-15-13-9-12(14-4)11(6-2)8-10(13)3/h6,8-9H,2,4-5,7H2,1,3H3.
What are the key properties of N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine?
N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine has a molecular weight of 203.28 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine is sourced from PubChem (CID 169264096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).