ethane;(4-methylphenyl) N-methylmethanimidate

C11H17NO — CID 91602622

IUPACethane;(4-methylphenyl) N-methylmethanimidate
SMILESC/N=C/Oc1ccc(C)cc1.CC
InChIInChI=1S/C9H11NO.C2H6/c1-8-3-5-9(6-4-8)11-7-10-2;1-2/h3-7H,1-2H3;1-2H3/b10-7+;
InChIKeyOABDPIAMPQLBKR-HCUGZAAXSA-N
MW179.26 g/mol
LogP3.06
Rot. Bonds2

About ethane;(4-methylphenyl) N-methylmethanimidate

ethane;(4-methylphenyl) N-methylmethanimidate (PubChem CID 91602622) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;(4-methylphenyl) N-methylmethanimidate.

Molecular Properties

Compound Nameethane;(4-methylphenyl) N-methylmethanimidate
PubChem CID91602622
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;(4-methylphenyl) N-methylmethanimidate
SMILESC/N=C/Oc1ccc(C)cc1.CC
InChIInChI=1S/C9H11NO.C2H6/c1-8-3-5-9(6-4-8)11-7-10-2;1-2/h3-7H,1-2H3;1-2H3/b10-7+;
InChIKeyOABDPIAMPQLBKR-HCUGZAAXSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl) N-methylmethanimidate?
The IUPAC name of ethane;(4-methylphenyl) N-methylmethanimidate (CID 91602622) is ethane;(4-methylphenyl) N-methylmethanimidate.
What is the SMILES notation for ethane;(4-methylphenyl) N-methylmethanimidate?
The canonical SMILES for ethane;(4-methylphenyl) N-methylmethanimidate is C/N=C/Oc1ccc(C)cc1.CC.
What is the InChIKey of ethane;(4-methylphenyl) N-methylmethanimidate?
The InChIKey is OABDPIAMPQLBKR-HCUGZAAXSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-8-3-5-9(6-4-8)11-7-10-2;1-2/h3-7H,1-2H3;1-2H3/b10-7+;.
What are the key properties of ethane;(4-methylphenyl) N-methylmethanimidate?
ethane;(4-methylphenyl) N-methylmethanimidate has a molecular weight of 179.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl) N-methylmethanimidate is sourced from PubChem (CID 91602622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).