5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine

C12H19N — CID 135218035

IUPAC5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine
SMILESNC1CC=CC(C2CC=CCC2)C1
InChIInChI=1S/C12H19N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-2,4,7,10-12H,3,5-6,8-9,13H2
InChIKeyRXESHHZJZVTTBE-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.64
Rot. Bonds1

About 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine

5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine (PubChem CID 135218035) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine
PubChem CID135218035
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine
SMILESNC1CC=CC(C2CC=CCC2)C1
InChIInChI=1S/C12H19N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-2,4,7,10-12H,3,5-6,8-9,13H2
InChIKeyRXESHHZJZVTTBE-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine?
The IUPAC name of 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine (CID 135218035) is 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine.
What is the SMILES notation for 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine?
The canonical SMILES for 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine is NC1CC=CC(C2CC=CCC2)C1.
What is the InChIKey of 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine?
The InChIKey is RXESHHZJZVTTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-2,4,7,10-12H,3,5-6,8-9,13H2.
What are the key properties of 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine?
5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 135218035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).