N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine

C13H17N — CID 149002722

IUPACN-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(\C)c1ccc(CC)cc1
InChIInChI=1S/C13H17N/c1-5-12-6-8-13(9-7-12)10(2)11(3)14-4/h6-9H,4-5H2,1-3H3/b11-10+
InChIKeyPZYXUFMLTCNSGN-ZHACJKMWSA-N
MW187.29 g/mol
LogP3.70
Rot. Bonds3

About N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine

N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine (PubChem CID 149002722) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine
PubChem CID149002722
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(\C)c1ccc(CC)cc1
InChIInChI=1S/C13H17N/c1-5-12-6-8-13(9-7-12)10(2)11(3)14-4/h6-9H,4-5H2,1-3H3/b11-10+
InChIKeyPZYXUFMLTCNSGN-ZHACJKMWSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine
CID 168891341
N-[(Z)-1-(4-ethylphenyl)-2-methylsulfanylethenyl]methanimine
CID 143127399
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
1-(4-ethylphenyl)-N-propylethanimine
CID 146572817
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
4-ethylbenzoic acid;formaldehyde
CID 155718391
ethane;1-(4-ethylphenyl)ethenamine
CID 143067689
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
4-ethylbenzoyl iodide
CID 89147367
1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine?
The IUPAC name of N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine (CID 149002722) is N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine?
The canonical SMILES for N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine is C=N/C(C)=C(\C)c1ccc(CC)cc1.
What is the InChIKey of N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine?
The InChIKey is PZYXUFMLTCNSGN-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H17N/c1-5-12-6-8-13(9-7-12)10(2)11(3)14-4/h6-9H,4-5H2,1-3H3/b11-10+.
What are the key properties of N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine?
N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine has a molecular weight of 187.29 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine is sourced from PubChem (CID 149002722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).