(Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine

C15H21N — CID 166972569

IUPAC(Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine
SMILESC/C=C\C(=N\C(C)C)c1c(C)cccc1C
InChIInChI=1S/C15H21N/c1-6-8-14(16-11(2)3)15-12(4)9-7-10-13(15)5/h6-11H,1-5H3/b8-6-,16-14-
InChIKeyDOTKVIPTEWKNBC-CIINBXFRSA-N
MW215.34 g/mol
LogP4.08
Rot. Bonds3

About (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine

(Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine (PubChem CID 166972569) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine
PubChem CID166972569
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine
SMILESC/C=C\C(=N\C(C)C)c1c(C)cccc1C
InChIInChI=1S/C15H21N/c1-6-8-14(16-11(2)3)15-12(4)9-7-10-13(15)5/h6-11H,1-5H3/b8-6-,16-14-
InChIKeyDOTKVIPTEWKNBC-CIINBXFRSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.08
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

(Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane
CID 143567465
propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate
CID 159155439
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene
CID 143026644
1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
(Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane
CID 176970768
1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853
1-(2,3-dimethylphenyl)but-2-en-1-one
CID 54274552
3-methyl-2-(propan-2-yliminomethyl)phenol
CID 137212346
(Z)-N-ethenyl-1-phenylbut-2-en-1-imine
CID 130193571
N-[1-(2-methylphenyl)ethyl]but-2-enamide
CID 78906695
[(2,6-dimethylphenyl)-methoxymethylidene]chromium
CID 134972915

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine?
The IUPAC name of (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine (CID 166972569) is (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine is C/C=C\C(=N\C(C)C)c1c(C)cccc1C.
What is the InChIKey of (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine?
The InChIKey is DOTKVIPTEWKNBC-CIINBXFRSA-N. The full InChI is InChI=1S/C15H21N/c1-6-8-14(16-11(2)3)15-12(4)9-7-10-13(15)5/h6-11H,1-5H3/b8-6-,16-14-.
What are the key properties of (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine?
(Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine has a molecular weight of 215.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 166972569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).