1-(4-ethylphenyl)-3-methylbut-2-en-1-imine

C13H17N — CID 167296423

IUPAC1-(4-ethylphenyl)-3-methylbut-2-en-1-imine
SMILES[H]/N=C(\C=C(C)C)c1ccc(CC)cc1
InChIInChI=1S/C13H17N/c1-4-11-5-7-12(8-6-11)13(14)9-10(2)3/h5-9,14H,4H2,1-3H3/b14-13+
InChIKeyLINYAWGEYBMTSB-BUHFOSPRSA-N
MW187.29 g/mol
LogP3.58
Rot. Bonds3

About 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine

1-(4-ethylphenyl)-3-methylbut-2-en-1-imine (PubChem CID 167296423) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-methylbut-2-en-1-imine
PubChem CID167296423
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(4-ethylphenyl)-3-methylbut-2-en-1-imine
SMILES[H]/N=C(\C=C(C)C)c1ccc(CC)cc1
InChIInChI=1S/C13H17N/c1-4-11-5-7-12(8-6-11)13(14)9-10(2)3/h5-9,14H,4H2,1-3H3/b14-13+
InChIKeyLINYAWGEYBMTSB-BUHFOSPRSA-N
XLogP3.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-ethylbenzenecarboximidate
CID 60984990
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
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CID 19784779
alumane;1,4-diethylbenzene
CID 174296012
methyl 4-(4-ethylphenoxy)benzenecarboximidate
CID 95464155
methyl 3-(4-ethylphenyl)propanimidate
CID 95436765
4-ethyl-N-hydrazinylidenebenzenecarboximidamide
CID 89361259
1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
2,3-dimethylbut-2-ene;diphenylmethanamine;ethane;ethene;1-ethyl-4-methylbenzene;formaldehyde;3-methyl-1-(2-methylphenyl)but-2-en-1-imine
CID 143440815
1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967575
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine?
The IUPAC name of 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine (CID 167296423) is 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine.
What is the SMILES notation for 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine?
The canonical SMILES for 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine is [H]/N=C(\C=C(C)C)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine?
The InChIKey is LINYAWGEYBMTSB-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H17N/c1-4-11-5-7-12(8-6-11)13(14)9-10(2)3/h5-9,14H,4H2,1-3H3/b14-13+.
What are the key properties of 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine?
1-(4-ethylphenyl)-3-methylbut-2-en-1-imine has a molecular weight of 187.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-methylbut-2-en-1-imine is sourced from PubChem (CID 167296423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).