ethane;(3-ethylphenyl)methanimine

C11H17N — CID 142246285

IUPACethane;(3-ethylphenyl)methanimine
SMILESCC.[H]/N=C/c1cccc(CC)c1
InChIInChI=1S/C9H11N.C2H6/c1-2-8-4-3-5-9(6-8)7-10;1-2/h3-7,10H,2H2,1H3;1-2H3/b10-7+;
InChIKeyGJOQRZOYJLCCOG-HCUGZAAXSA-N
MW163.26 g/mol
LogP3.27
Rot. Bonds2

About ethane;(3-ethylphenyl)methanimine

ethane;(3-ethylphenyl)methanimine (PubChem CID 142246285) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;(3-ethylphenyl)methanimine.

Molecular Properties

Compound Nameethane;(3-ethylphenyl)methanimine
PubChem CID142246285
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethane;(3-ethylphenyl)methanimine
SMILESCC.[H]/N=C/c1cccc(CC)c1
InChIInChI=1S/C9H11N.C2H6/c1-2-8-4-3-5-9(6-8)7-10;1-2/h3-7,10H,2H2,1H3;1-2H3/b10-7+;
InChIKeyGJOQRZOYJLCCOG-HCUGZAAXSA-N
XLogP3.27
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.27
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

(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol
CID 89151097
(E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol
CID 89151080
4-(3-ethylphenyl)but-3-en-2-one
CID 174630959
1-(3-methanimidoylphenyl)ethanone
CID 89337497
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
(E,2R)-5-(3-ethylphenyl)-2-methylpent-4-en-1-ol
CID 89151077
(E)-3-(3-ethylphenyl)-2-methylprop-2-enoic acid
CID 135263218
5-ethyl-2-methanimidoyl-N-methylaniline
CID 143482570
1-bromo-3-ethylbenzene;ethane
CID 143778556
ethylbenzene;pyridin-2-ylmethanimine
CID 174801514
ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane
CID 142947076

Frequently Asked Questions

What is the IUPAC name of ethane;(3-ethylphenyl)methanimine?
The IUPAC name of ethane;(3-ethylphenyl)methanimine (CID 142246285) is ethane;(3-ethylphenyl)methanimine.
What is the SMILES notation for ethane;(3-ethylphenyl)methanimine?
The canonical SMILES for ethane;(3-ethylphenyl)methanimine is CC.[H]/N=C/c1cccc(CC)c1.
What is the InChIKey of ethane;(3-ethylphenyl)methanimine?
The InChIKey is GJOQRZOYJLCCOG-HCUGZAAXSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-2-8-4-3-5-9(6-8)7-10;1-2/h3-7,10H,2H2,1H3;1-2H3/b10-7+;.
What are the key properties of ethane;(3-ethylphenyl)methanimine?
ethane;(3-ethylphenyl)methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-ethylphenyl)methanimine is sourced from PubChem (CID 142246285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).