2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide

C13H22N2 — CID 143158071

IUPAC2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide
SMILESC=CC1=C(/C(N)=N/CC)CCCC(C)C1
InChIInChI=1S/C13H22N2/c1-4-11-9-10(3)7-6-8-12(11)13(14)15-5-2/h4,10H,1,5-9H2,2-3H3,(H2,14,15)
InChIKeyZQKGQQXAIHEHHL-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.06
Rot. Bonds3

About 2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide

2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide (PubChem CID 143158071) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide.

Molecular Properties

Compound Name2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide
PubChem CID143158071
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide
SMILESC=CC1=C(/C(N)=N/CC)CCCC(C)C1
InChIInChI=1S/C13H22N2/c1-4-11-9-10(3)7-6-8-12(11)13(14)15-5-2/h4,10H,1,5-9H2,2-3H3,(H2,14,15)
InChIKeyZQKGQQXAIHEHHL-UHFFFAOYSA-N
XLogP3.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.06
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'-ethyl-4-methylcycloheptene-1-carboximidamide?
The IUPAC name of 2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide (CID 143158071) is 2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide.
What is the SMILES notation for 2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide?
The canonical SMILES for 2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide is C=CC1=C(/C(N)=N/CC)CCCC(C)C1.
What is the InChIKey of 2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide?
The InChIKey is ZQKGQQXAIHEHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-11-9-10(3)7-6-8-12(11)13(14)15-5-2/h4,10H,1,5-9H2,2-3H3,(H2,14,15).
What are the key properties of 2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide?
2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide has a molecular weight of 206.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide is sourced from PubChem (CID 143158071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).