N-but-2-enoxy-1-(3-methylphenyl)ethanimine

C13H17NO — CID 173323571

IUPACN-but-2-enoxy-1-(3-methylphenyl)ethanimine
SMILESCC=CCON=C(C)c1cccc(C)c1
InChIInChI=1S/C13H17NO/c1-4-5-9-15-14-12(3)13-8-6-7-11(2)10-13/h4-8,10H,9H2,1-3H3
InChIKeyWHEPRHQPVNLHEP-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.31
Rot. Bonds4

About N-but-2-enoxy-1-(3-methylphenyl)ethanimine

N-but-2-enoxy-1-(3-methylphenyl)ethanimine (PubChem CID 173323571) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-but-2-enoxy-1-(3-methylphenyl)ethanimine.

Molecular Properties

Compound NameN-but-2-enoxy-1-(3-methylphenyl)ethanimine
PubChem CID173323571
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-but-2-enoxy-1-(3-methylphenyl)ethanimine
SMILESCC=CCON=C(C)c1cccc(C)c1
InChIInChI=1S/C13H17NO/c1-4-5-9-15-14-12(3)13-8-6-7-11(2)10-13/h4-8,10H,9H2,1-3H3
InChIKeyWHEPRHQPVNLHEP-UHFFFAOYSA-N
XLogP3.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.31
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine
CID 13143516
ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine
CID 144576154
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine
CID 173346929
1-[3-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenyl]methyl]phenyl]-N-methoxyethanimine
CID 157254150
1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenyl]peroxyphenyl]-N-methoxyethanimine
CID 90751159
(Z)-1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]but-2-ynoxy]phenyl]-N-methoxyethanimine;ethane
CID 90904834
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
methyl N-methoxycarbonyl-N-[2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667648
1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene
CID 123992267
(E)-1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]phenyl]-N-methoxyethanimine
CID 23379289
N-[(E)-but-2-enyl]-3-methylbenzamide
CID 178010009

Frequently Asked Questions

What is the IUPAC name of N-but-2-enoxy-1-(3-methylphenyl)ethanimine?
The IUPAC name of N-but-2-enoxy-1-(3-methylphenyl)ethanimine (CID 173323571) is N-but-2-enoxy-1-(3-methylphenyl)ethanimine.
What is the SMILES notation for N-but-2-enoxy-1-(3-methylphenyl)ethanimine?
The canonical SMILES for N-but-2-enoxy-1-(3-methylphenyl)ethanimine is CC=CCON=C(C)c1cccc(C)c1.
What is the InChIKey of N-but-2-enoxy-1-(3-methylphenyl)ethanimine?
The InChIKey is WHEPRHQPVNLHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-5-9-15-14-12(3)13-8-6-7-11(2)10-13/h4-8,10H,9H2,1-3H3.
What are the key properties of N-but-2-enoxy-1-(3-methylphenyl)ethanimine?
N-but-2-enoxy-1-(3-methylphenyl)ethanimine has a molecular weight of 203.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enoxy-1-(3-methylphenyl)ethanimine is sourced from PubChem (CID 173323571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).