ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine

C13H20N2 — CID 142544034

IUPACethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine
SMILESCC.CC/N=C/c1ccc(/C=N/C)cc1
InChIInChI=1S/C11H14N2.C2H6/c1-3-13-9-11-6-4-10(5-7-11)8-12-2;1-2/h4-9H,3H2,1-2H3;1-2H3/b12-8+,13-9+;
InChIKeyPFUXALOMDZIPEQ-VJGCCIIKSA-N
MW204.32 g/mol
LogP3.20
Rot. Bonds3

About ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine

ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine (PubChem CID 142544034) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine.

Molecular Properties

Compound Nameethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine
PubChem CID142544034
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine
SMILESCC.CC/N=C/c1ccc(/C=N/C)cc1
InChIInChI=1S/C11H14N2.C2H6/c1-3-13-9-11-6-4-10(5-7-11)8-12-2;1-2/h4-9H,3H2,1-2H3;1-2H3/b12-8+,13-9+;
InChIKeyPFUXALOMDZIPEQ-VJGCCIIKSA-N
XLogP3.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004
N-ethyl-1-(4-fluorophenyl)methanimine
CID 59798639
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
4-(ethyliminomethyl)benzonitrile
CID 12927009
N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde
CID 157133896
ethane;N-methyl-1-phenylmethanimine
CID 90887000
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
ethane;N-ethyl-1-(2-methylphenyl)methanimine
CID 177332542
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
CID 139241248

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine?
The IUPAC name of ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine (CID 142544034) is ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine.
What is the SMILES notation for ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine?
The canonical SMILES for ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine is CC.CC/N=C/c1ccc(/C=N/C)cc1.
What is the InChIKey of ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine?
The InChIKey is PFUXALOMDZIPEQ-VJGCCIIKSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-3-13-9-11-6-4-10(5-7-11)8-12-2;1-2/h4-9H,3H2,1-2H3;1-2H3/b12-8+,13-9+;.
What are the key properties of ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine?
ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine has a molecular weight of 204.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine is sourced from PubChem (CID 142544034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).