ethane;N'-methoxymethanimidamide;1,3-xylene

C12H22N2O — CID 142083207

IUPACethane;N'-methoxymethanimidamide;1,3-xylene
SMILESCC.CO/N=C/N.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C2H6N2O.C2H6/c1-7-4-3-5-8(2)6-7;1-5-4-2-3;1-2/h3-6H,1-2H3;2H,1H3,(H2,3,4);1-2H3
InChIKeySRMRGZRGVPWHTA-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.86
Rot. Bonds1

About ethane;N'-methoxymethanimidamide;1,3-xylene

ethane;N'-methoxymethanimidamide;1,3-xylene (PubChem CID 142083207) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;N'-methoxymethanimidamide;1,3-xylene.

Molecular Properties

Compound Nameethane;N'-methoxymethanimidamide;1,3-xylene
PubChem CID142083207
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;N'-methoxymethanimidamide;1,3-xylene
SMILESCC.CO/N=C/N.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C2H6N2O.C2H6/c1-7-4-3-5-8(2)6-7;1-5-4-2-3;1-2/h3-6H,1-2H3;2H,1H3,(H2,3,4);1-2H3
InChIKeySRMRGZRGVPWHTA-UHFFFAOYSA-N
XLogP2.86
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1,3-xylene
CID 54570178
ethane;methane;1,3-xylene
CID 145463381
3-methylaniline
CID 7934
ethane;methanol;1,3-xylene
CID 156743127
ethane;1,3-xylene;1,4-xylene
CID 145425556
ethane;ethene;3-methylaniline
CID 145478894
N'-(3-methylphenyl)methanimidamide
CID 55300494
phosphane;tris(1,3-xylene)
CID 67351774
argon;1,3-xylene
CID 161468194
uranium;1,3-xylene
CID 142096795
3-methylaniline chloride
CID 23334103
ethane;propane;1,3-xylene
CID 144528046

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methoxymethanimidamide;1,3-xylene?
The IUPAC name of ethane;N'-methoxymethanimidamide;1,3-xylene (CID 142083207) is ethane;N'-methoxymethanimidamide;1,3-xylene.
What is the SMILES notation for ethane;N'-methoxymethanimidamide;1,3-xylene?
The canonical SMILES for ethane;N'-methoxymethanimidamide;1,3-xylene is CC.CO/N=C/N.Cc1cccc(C)c1.
What is the InChIKey of ethane;N'-methoxymethanimidamide;1,3-xylene?
The InChIKey is SRMRGZRGVPWHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2H6N2O.C2H6/c1-7-4-3-5-8(2)6-7;1-5-4-2-3;1-2/h3-6H,1-2H3;2H,1H3,(H2,3,4);1-2H3.
What are the key properties of ethane;N'-methoxymethanimidamide;1,3-xylene?
ethane;N'-methoxymethanimidamide;1,3-xylene has a molecular weight of 210.32 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methoxymethanimidamide;1,3-xylene is sourced from PubChem (CID 142083207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).