cyclohex-3-ene-1-carboximidamide;hydrochloride

C7H13ClN2 — CID 42614706

IUPACcyclohex-3-ene-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC=CCC1
InChIInChI=1S/C7H12N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-2,6H,3-5H2,(H3,8,9);1H
InChIKeyIZISISNMBXFYHC-UHFFFAOYSA-N
MW160.65 g/mol
LogP1.70
Rot. Bonds1

About cyclohex-3-ene-1-carboximidamide;hydrochloride

cyclohex-3-ene-1-carboximidamide;hydrochloride (PubChem CID 42614706) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is cyclohex-3-ene-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Namecyclohex-3-ene-1-carboximidamide;hydrochloride
PubChem CID42614706
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Namecyclohex-3-ene-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1CC=CCC1
InChIInChI=1S/C7H12N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-2,6H,3-5H2,(H3,8,9);1H
InChIKeyIZISISNMBXFYHC-UHFFFAOYSA-N
XLogP1.70
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 51.70
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;hydrochloride?
The IUPAC name of cyclohex-3-ene-1-carboximidamide;hydrochloride (CID 42614706) is cyclohex-3-ene-1-carboximidamide;hydrochloride.
What is the SMILES notation for cyclohex-3-ene-1-carboximidamide;hydrochloride?
The canonical SMILES for cyclohex-3-ene-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1CC=CCC1.
What is the InChIKey of cyclohex-3-ene-1-carboximidamide;hydrochloride?
The InChIKey is IZISISNMBXFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-2,6H,3-5H2,(H3,8,9);1H.
What are the key properties of cyclohex-3-ene-1-carboximidamide;hydrochloride?
cyclohex-3-ene-1-carboximidamide;hydrochloride has a molecular weight of 160.65 g/mol, XLogP of 1.70, 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;hydrochloride is sourced from PubChem (CID 42614706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).