5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane

C15H26N2 — CID 142562105

IUPAC5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane
SMILESC/N=C(\C)C1=CC(C#N)=C(C)CC1.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-8-4-5-10(9(2)13-3)6-11(8)7-12;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3/b13-9+;;
InChIKeyJFUGFQPQPZVTIQ-IGUOPLJTSA-N
MW234.39 g/mol
LogP4.69
Rot. Bonds1

About 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane

5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane (PubChem CID 142562105) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane.

Molecular Properties

Compound Name5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane
PubChem CID142562105
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane
SMILESC/N=C(\C)C1=CC(C#N)=C(C)CC1.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-8-4-5-10(9(2)13-3)6-11(8)7-12;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3/b13-9+;;
InChIKeyJFUGFQPQPZVTIQ-IGUOPLJTSA-N
XLogP4.69
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane?
The IUPAC name of 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane (CID 142562105) is 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane.
What is the SMILES notation for 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane?
The canonical SMILES for 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane is C/N=C(\C)C1=CC(C#N)=C(C)CC1.CC.CC.
What is the InChIKey of 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane?
The InChIKey is JFUGFQPQPZVTIQ-IGUOPLJTSA-N. The full InChI is InChI=1S/C11H14N2.2C2H6/c1-8-4-5-10(9(2)13-3)6-11(8)7-12;2*1-2/h6H,4-5H2,1-3H3;2*1-2H3/b13-9+;;.
What are the key properties of 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane?
5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane has a molecular weight of 234.39 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile;ethane is sourced from PubChem (CID 142562105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).