2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide

C13H20N2 — CID 118519255

IUPAC2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide
SMILESC=C/N=C(\NC=C)C(C)C1CC=CCC1
InChIInChI=1S/C13H20N2/c1-4-14-13(15-5-2)11(3)12-9-7-6-8-10-12/h4-7,11-12H,1-2,8-10H2,3H3,(H,14,15)
InChIKeyDDYQTHXMIKOUOB-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.25
Rot. Bonds4

About 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide

2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide (PubChem CID 118519255) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide
PubChem CID118519255
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide
SMILESC=C/N=C(\NC=C)C(C)C1CC=CCC1
InChIInChI=1S/C13H20N2/c1-4-14-13(15-5-2)11(3)12-9-7-6-8-10-12/h4-7,11-12H,1-2,8-10H2,3H3,(H,14,15)
InChIKeyDDYQTHXMIKOUOB-UHFFFAOYSA-N
XLogP3.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.25
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide?
The IUPAC name of 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide (CID 118519255) is 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide?
The canonical SMILES for 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide is C=C/N=C(\NC=C)C(C)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide?
The InChIKey is DDYQTHXMIKOUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-14-13(15-5-2)11(3)12-9-7-6-8-10-12/h4-7,11-12H,1-2,8-10H2,3H3,(H,14,15).
What are the key properties of 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide?
2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide is sourced from PubChem (CID 118519255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).