1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane

C14H21N — CID 142080417

IUPAC1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane
SMILESCC.[H]/N=C(\C(=C)C)c1cccc(C)c1C
InChIInChI=1S/C12H15N.C2H6/c1-8(2)12(13)11-7-5-6-9(3)10(11)4;1-2/h5-7,13H,1H2,2-4H3;1-2H3/b13-12+;
InChIKeyUXTOEIHCRCLJBJ-UEIGIMKUSA-N
MW203.33 g/mol
LogP4.27
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane

1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane (PubChem CID 142080417) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane
PubChem CID142080417
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane
SMILESCC.[H]/N=C(\C(=C)C)c1cccc(C)c1C
InChIInChI=1S/C12H15N.C2H6/c1-8(2)12(13)11-7-5-6-9(3)10(11)4;1-2/h5-7,13H,1H2,2-4H3;1-2H3/b13-12+;
InChIKeyUXTOEIHCRCLJBJ-UEIGIMKUSA-N
XLogP4.27
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.27
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

butane;1-(2,3-dimethylphenyl)ethanimine
CID 177029537
1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene
CID 155690336
N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide
CID 144603965
N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine
CID 143797983
1-(2,3-dimethylphenyl)pentan-1-imine
CID 57407840
2,3-dimethylbenzamide;ethane
CID 143389789
ethane;1,2,3-trimethylbenzene
CID 54068667
1-[3-[2-(8-chloro-1-azacycloocta-1,3,6,7-tetraen-4-yl)ethenyl]-2-methylphenyl]-2-methylprop-2-en-1-imine
CID 123764547
N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide
CID 67921998
(3E)-3-(2,3-dimethylphenyl)penta-1,3-diene-2-thiol
CID 143503279
ethane;N,2,3-trimethylbenzamide
CID 178108869
2,3-dimethylbenzoyl iodide
CID 87941796

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane (CID 142080417) is 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane is CC.[H]/N=C(\C(=C)C)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane?
The InChIKey is UXTOEIHCRCLJBJ-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-8(2)12(13)11-7-5-6-9(3)10(11)4;1-2/h5-7,13H,1H2,2-4H3;1-2H3/b13-12+;.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane?
1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane has a molecular weight of 203.33 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane is sourced from PubChem (CID 142080417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).