(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine

C12H15N — CID 12818328

IUPAC(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine
SMILESC/C=C/C=N/c1c(C)cccc1C
InChIInChI=1S/C12H15N/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4-9H,1-3H3/b5-4+,13-9+
InChIKeyQDFGOILOENRVAQ-CCKNLQGCSA-N
MW173.26 g/mol
LogP3.58
Rot. Bonds2

About (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine

(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine (PubChem CID 12818328) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine
PubChem CID12818328
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine
SMILESC/C=C/C=N/c1c(C)cccc1C
InChIInChI=1S/C12H15N/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4-9H,1-3H3/b5-4+,13-9+
InChIKeyQDFGOILOENRVAQ-CCKNLQGCSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.58
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

N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel
CID 59881388
N-(2,6-dimethylphenyl)ethanimine
CID 10993945
acetylene;N-(2,6-dimethylphenyl)ethanimine
CID 142169551
N-(4-methylphenyl)but-2-en-1-imine
CID 71345693
1-[(2,6-dimethylphenyl)iminomethyl]cyclohexan-1-ol
CID 10466452
(2,6-dimethylphenyl)iminotitanium(2+)
CID 11384908
2-chloro-N-(2,6-dimethylphenyl)ethanimine
CID 101094271
2-[[(E)-but-2-enylidene]amino]phenol
CID 24796549
(Z)-N-[2,6-dimethyl-3-[3-(2-methylpropyl)-2-propylphenyl]phenyl]but-2-en-1-imine;ethane
CID 145014057
ethane;(Z)-N-(4-ethenyl-2-methyl-3-pyridinyl)but-2-en-1-imine
CID 142388858
butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene
CID 143995996
4-[[(E)-but-2-enylidene]amino]phenol
CID 131246971

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine?
The IUPAC name of (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine (CID 12818328) is (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine?
The canonical SMILES for (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine is C/C=C/C=N/c1c(C)cccc1C.
What is the InChIKey of (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine?
The InChIKey is QDFGOILOENRVAQ-CCKNLQGCSA-N. The full InChI is InChI=1S/C12H15N/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4-9H,1-3H3/b5-4+,13-9+.
What are the key properties of (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine?
(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine has a molecular weight of 173.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dimethylphenyl)but-2-en-1-imine is sourced from PubChem (CID 12818328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).