(E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine

C17H25NO — CID 142550138

IUPAC(E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine
SMILESC=CC/N=C/c1ccc(C)cc1.CC/C=C(\C)OC
InChIInChI=1S/C11H13N.C6H12O/c1-3-8-12-9-11-6-4-10(2)5-7-11;1-4-5-6(2)7-3/h3-7,9H,1,8H2,2H3;5H,4H2,1-3H3/b12-9+;6-5+
InChIKeyLNCCSDSLPOLGHH-UXRZMFJYSA-N
MW259.39 g/mol
LogP4.55
Rot. Bonds5

About (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine

(E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine (PubChem CID 142550138) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine.

Molecular Properties

Compound Name(E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine
PubChem CID142550138
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine
SMILESC=CC/N=C/c1ccc(C)cc1.CC/C=C(\C)OC
InChIInChI=1S/C11H13N.C6H12O/c1-3-8-12-9-11-6-4-10(2)5-7-11;1-4-5-6(2)7-3/h3-7,9H,1,8H2,2H3;5H,4H2,1-3H3/b12-9+;6-5+
InChIKeyLNCCSDSLPOLGHH-UXRZMFJYSA-N
XLogP4.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-prop-2-enylmethanimine
CID 11052170
1-(4-methylphenyl)-N-(2-methylprop-2-enyl)methanimine
CID 15208611
propyl 2-[(4-methylphenyl)methylideneamino]acetate
CID 141262028
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
(E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine
CID 19368603
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
ethane;(5Z)-N-ethyl-4-methylhepta-2,3,5-trien-1-imine;2-ethyl-1,3,4-trimethylbenzene;methanol;(Z)-2-methoxypent-2-ene
CID 144947108
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063
1-ethenyl-4-methylbenzene;2-methylbuta-1,3-diene;2-methylprop-1-ene
CID 159294849
N'-[(4-methylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 4161729
2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate
CID 70448768

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine?
The IUPAC name of (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine (CID 142550138) is (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine.
What is the SMILES notation for (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine?
The canonical SMILES for (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine is C=CC/N=C/c1ccc(C)cc1.CC/C=C(\C)OC.
What is the InChIKey of (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine?
The InChIKey is LNCCSDSLPOLGHH-UXRZMFJYSA-N. The full InChI is InChI=1S/C11H13N.C6H12O/c1-3-8-12-9-11-6-4-10(2)5-7-11;1-4-5-6(2)7-3/h3-7,9H,1,8H2,2H3;5H,4H2,1-3H3/b12-9+;6-5+.
What are the key properties of (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine?
(E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine has a molecular weight of 259.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxypent-2-ene;1-(4-methylphenyl)-N-prop-2-enylmethanimine is sourced from PubChem (CID 142550138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).