N-ethenyl-N-methylethanimidamide;toluene

C12H18N2 — CID 142995376

IUPACN-ethenyl-N-methylethanimidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\C)N(C)C=C
InChIInChI=1S/C7H8.C5H10N2/c1-7-5-3-2-4-6-7;1-4-7(3)5(2)6/h2-6H,1H3;4,6H,1H2,2-3H3/b;6-5+
InChIKeyFQBPBIZRARWWRR-MXDQRGINSA-N
MW190.29 g/mol
LogP3.05
Rot. Bonds1

About N-ethenyl-N-methylethanimidamide;toluene

N-ethenyl-N-methylethanimidamide;toluene (PubChem CID 142995376) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-ethenyl-N-methylethanimidamide;toluene.

Molecular Properties

Compound NameN-ethenyl-N-methylethanimidamide;toluene
PubChem CID142995376
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-ethenyl-N-methylethanimidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\C)N(C)C=C
InChIInChI=1S/C7H8.C5H10N2/c1-7-5-3-2-4-6-7;1-4-7(3)5(2)6/h2-6H,1H3;4,6H,1H2,2-3H3/b;6-5+
InChIKeyFQBPBIZRARWWRR-MXDQRGINSA-N
XLogP3.05
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-ethenyl-N-methylethanimidamide;toluene?
The IUPAC name of N-ethenyl-N-methylethanimidamide;toluene (CID 142995376) is N-ethenyl-N-methylethanimidamide;toluene.
What is the SMILES notation for N-ethenyl-N-methylethanimidamide;toluene?
The canonical SMILES for N-ethenyl-N-methylethanimidamide;toluene is Cc1ccccc1.[H]/N=C(\C)N(C)C=C.
What is the InChIKey of N-ethenyl-N-methylethanimidamide;toluene?
The InChIKey is FQBPBIZRARWWRR-MXDQRGINSA-N. The full InChI is InChI=1S/C7H8.C5H10N2/c1-7-5-3-2-4-6-7;1-4-7(3)5(2)6/h2-6H,1H3;4,6H,1H2,2-3H3/b;6-5+.
What are the key properties of N-ethenyl-N-methylethanimidamide;toluene?
N-ethenyl-N-methylethanimidamide;toluene has a molecular weight of 190.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methylethanimidamide;toluene is sourced from PubChem (CID 142995376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).