2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide

C11H18N2 — CID 143158054

IUPAC2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide
SMILESC=CC1=C(/C(N)=N/C)CCC(C)C1
InChIInChI=1S/C11H18N2/c1-4-9-7-8(2)5-6-10(9)11(12)13-3/h4,8H,1,5-7H2,2-3H3,(H2,12,13)
InChIKeyPFWZUSORPNJAQD-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds2

About 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide

2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide (PubChem CID 143158054) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide.

Molecular Properties

Compound Name2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide
PubChem CID143158054
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide
SMILESC=CC1=C(/C(N)=N/C)CCC(C)C1
InChIInChI=1S/C11H18N2/c1-4-9-7-8(2)5-6-10(9)11(12)13-3/h4,8H,1,5-7H2,2-3H3,(H2,12,13)
InChIKeyPFWZUSORPNJAQD-UHFFFAOYSA-N
XLogP2.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
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 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide?
The IUPAC name of 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide (CID 143158054) is 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide.
What is the SMILES notation for 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide?
The canonical SMILES for 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide is C=CC1=C(/C(N)=N/C)CCC(C)C1.
What is the InChIKey of 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide?
The InChIKey is PFWZUSORPNJAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9-7-8(2)5-6-10(9)11(12)13-3/h4,8H,1,5-7H2,2-3H3,(H2,12,13).
What are the key properties of 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide?
2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide has a molecular weight of 178.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide is sourced from PubChem (CID 143158054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).