cyclohex-3-ene-1-carboximidamide

C7H12N2 — CID 42614707

IUPACcyclohex-3-ene-1-carboximidamide
SMILES[H]/N=C(\N)C1CC=CCC1
InChIInChI=1S/C7H12N2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H3,8,9)
InChIKeyYKBFYDSZZRXAQR-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.28
Rot. Bonds1

About cyclohex-3-ene-1-carboximidamide

cyclohex-3-ene-1-carboximidamide (PubChem CID 42614707) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is cyclohex-3-ene-1-carboximidamide.

Molecular Properties

Compound Namecyclohex-3-ene-1-carboximidamide
PubChem CID42614707
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Namecyclohex-3-ene-1-carboximidamide
SMILES[H]/N=C(\N)C1CC=CCC1
InChIInChI=1S/C7H12N2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H3,8,9)
InChIKeyYKBFYDSZZRXAQR-UHFFFAOYSA-N
XLogP1.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
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 cyclohex-3-ene-1-carboximidamide?
The IUPAC name of cyclohex-3-ene-1-carboximidamide (CID 42614707) is cyclohex-3-ene-1-carboximidamide.
What is the SMILES notation for cyclohex-3-ene-1-carboximidamide?
The canonical SMILES for cyclohex-3-ene-1-carboximidamide is [H]/N=C(\N)C1CC=CCC1.
What is the InChIKey of cyclohex-3-ene-1-carboximidamide?
The InChIKey is YKBFYDSZZRXAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H3,8,9).
What are the key properties of cyclohex-3-ene-1-carboximidamide?
cyclohex-3-ene-1-carboximidamide has a molecular weight of 124.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-ene-1-carboximidamide is sourced from PubChem (CID 42614707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).