ethane;N-methyl-1-(2-methylphenyl)methanimine

C11H17N — CID 91511735

IUPACethane;N-methyl-1-(2-methylphenyl)methanimine
SMILESC/N=C/c1ccccc1C.CC
InChIInChI=1S/C9H11N.C2H6/c1-8-5-3-4-6-9(8)7-10-2;1-2/h3-7H,1-2H3;1-2H3/b10-7+;
InChIKeyDIXGWZWRLRQTSN-HCUGZAAXSA-N
MW163.26 g/mol
LogP3.07
Rot. Bonds1

About ethane;N-methyl-1-(2-methylphenyl)methanimine

ethane;N-methyl-1-(2-methylphenyl)methanimine (PubChem CID 91511735) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;N-methyl-1-(2-methylphenyl)methanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-(2-methylphenyl)methanimine
PubChem CID91511735
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethane;N-methyl-1-(2-methylphenyl)methanimine
SMILESC/N=C/c1ccccc1C.CC
InChIInChI=1S/C9H11N.C2H6/c1-8-5-3-4-6-9(8)7-10-2;1-2/h3-7H,1-2H3;1-2H3/b10-7+;
InChIKeyDIXGWZWRLRQTSN-HCUGZAAXSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(2-methylphenyl)methanimine?
The IUPAC name of ethane;N-methyl-1-(2-methylphenyl)methanimine (CID 91511735) is ethane;N-methyl-1-(2-methylphenyl)methanimine.
What is the SMILES notation for ethane;N-methyl-1-(2-methylphenyl)methanimine?
The canonical SMILES for ethane;N-methyl-1-(2-methylphenyl)methanimine is C/N=C/c1ccccc1C.CC.
What is the InChIKey of ethane;N-methyl-1-(2-methylphenyl)methanimine?
The InChIKey is DIXGWZWRLRQTSN-HCUGZAAXSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-8-5-3-4-6-9(8)7-10-2;1-2/h3-7H,1-2H3;1-2H3/b10-7+;.
What are the key properties of ethane;N-methyl-1-(2-methylphenyl)methanimine?
ethane;N-methyl-1-(2-methylphenyl)methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(2-methylphenyl)methanimine is sourced from PubChem (CID 91511735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).