ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine

C16H27N — CID 154679304

IUPACethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/C)c1ccccc1C.CC.CC
InChIInChI=1S/C12H15N.2C2H6/c1-9-7-5-6-8-12(9)10(2)11(3)13-4;2*1-2/h5-8H,4H2,1-3H3;2*1-2H3/b11-10-;;
InChIKeyZRYCJGGTYBIUKH-PQBRBDCOSA-N
MW233.40 g/mol
LogP5.50
Rot. Bonds2

About ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine

ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine (PubChem CID 154679304) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine
PubChem CID154679304
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Nameethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/C)c1ccccc1C.CC.CC
InChIInChI=1S/C12H15N.2C2H6/c1-9-7-5-6-8-12(9)10(2)11(3)13-4;2*1-2/h5-8H,4H2,1-3H3;2*1-2H3/b11-10-;;
InChIKeyZRYCJGGTYBIUKH-PQBRBDCOSA-N
XLogP5.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.50
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

ethane;1-(2-methylphenyl)ethanone
CID 91374073
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
N-methylidene-2-(2-methylphenyl)-2-oxoacetamide
CID 135366239
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
1-(3-methoxybut-2-en-2-yl)-2-methylbenzene
CID 172691256
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide
CID 145320912
1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine
CID 122210374
1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
CID 142414325
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine?
The IUPAC name of ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine (CID 154679304) is ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine.
What is the SMILES notation for ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine?
The canonical SMILES for ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine is C=N/C(C)=C(/C)c1ccccc1C.CC.CC.
What is the InChIKey of ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine?
The InChIKey is ZRYCJGGTYBIUKH-PQBRBDCOSA-N. The full InChI is InChI=1S/C12H15N.2C2H6/c1-9-7-5-6-8-12(9)10(2)11(3)13-4;2*1-2/h5-8H,4H2,1-3H3;2*1-2H3/b11-10-;;.
What are the key properties of ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine?
ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine has a molecular weight of 233.40 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine is sourced from PubChem (CID 154679304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).