2-cyclohex-3-en-1-yloxan-3-amine

C11H19NO — CID 79365411

IUPAC2-cyclohex-3-en-1-yloxan-3-amine
SMILESNC1CCCOC1C1CC=CCC1
InChIInChI=1S/C11H19NO/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-2,9-11H,3-8,12H2
InChIKeyXJKJUMBCKWBEJL-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.85
Rot. Bonds1

About 2-cyclohex-3-en-1-yloxan-3-amine

2-cyclohex-3-en-1-yloxan-3-amine (PubChem CID 79365411) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yloxan-3-amine.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yloxan-3-amine
PubChem CID79365411
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclohex-3-en-1-yloxan-3-amine
SMILESNC1CCCOC1C1CC=CCC1
InChIInChI=1S/C11H19NO/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-2,9-11H,3-8,12H2
InChIKeyXJKJUMBCKWBEJL-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclohex-3-en-1-yloxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yloxan-3-amine?
The IUPAC name of 2-cyclohex-3-en-1-yloxan-3-amine (CID 79365411) is 2-cyclohex-3-en-1-yloxan-3-amine.
What is the SMILES notation for 2-cyclohex-3-en-1-yloxan-3-amine?
The canonical SMILES for 2-cyclohex-3-en-1-yloxan-3-amine is NC1CCCOC1C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yloxan-3-amine?
The InChIKey is XJKJUMBCKWBEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-2,9-11H,3-8,12H2.
What are the key properties of 2-cyclohex-3-en-1-yloxan-3-amine?
2-cyclohex-3-en-1-yloxan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yloxan-3-amine is sourced from PubChem (CID 79365411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).