ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine

C13H19N — CID 143026526

IUPACethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine
SMILESC=C(C)/N=C/c1ccccc1C.CC
InChIInChI=1S/C11H13N.C2H6/c1-9(2)12-8-11-7-5-4-6-10(11)3;1-2/h4-8H,1H2,2-3H3;1-2H3/b12-8+;
InChIKeyUVOWFOYONASPIQ-MXZHIVQLSA-N
MW189.30 g/mol
LogP3.97
Rot. Bonds2

About ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine

ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine (PubChem CID 143026526) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine.

Molecular Properties

Compound Nameethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine
PubChem CID143026526
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Nameethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine
SMILESC=C(C)/N=C/c1ccccc1C.CC
InChIInChI=1S/C11H13N.C2H6/c1-9(2)12-8-11-7-5-4-6-10(11)3;1-2/h4-8H,1H2,2-3H3;1-2H3/b12-8+;
InChIKeyUVOWFOYONASPIQ-MXZHIVQLSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.97
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;N-methyl-1-(2-methylphenyl)methanimine
CID 91511735
ethane;N-ethenyl-1-(2-methylphenyl)methanimine
CID 143039569
1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine
CID 129213458
1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
CID 174713948
(E)-(2-methylphenyl)methylidenehydrazine
CID 22712356
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
ethane;N-ethyl-1-(2-methylphenyl)methanimine
CID 177332542
ethane;(1Z)-3-methyl-1-(2-methylphenyl)buta-1,3-dien-2-amine
CID 172565349
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
N-benzyl-1-(2-methylphenyl)methanimine;ethane
CID 143782253

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine?
The IUPAC name of ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine (CID 143026526) is ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine.
What is the SMILES notation for ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine?
The canonical SMILES for ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine is C=C(C)/N=C/c1ccccc1C.CC.
What is the InChIKey of ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine?
The InChIKey is UVOWFOYONASPIQ-MXZHIVQLSA-N. The full InChI is InChI=1S/C11H13N.C2H6/c1-9(2)12-8-11-7-5-4-6-10(11)3;1-2/h4-8H,1H2,2-3H3;1-2H3/b12-8+;.
What are the key properties of ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine?
ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine has a molecular weight of 189.30 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine is sourced from PubChem (CID 143026526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).