N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine

C12H19N — CID 13474776

IUPACN-cyclohex-2-en-1-ylcyclohex-2-en-1-amine
SMILESC1=CC(NC2C=CCCC2)CCC1
InChIInChI=1S/C12H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,5,7,9,11-13H,1-2,4,6,8,10H2
InChIKeyNYOUISNSFNXYQO-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.79
Rot. Bonds2

About N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine

N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine (PubChem CID 13474776) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylcyclohex-2-en-1-amine
PubChem CID13474776
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-cyclohex-2-en-1-ylcyclohex-2-en-1-amine
SMILESC1=CC(NC2C=CCCC2)CCC1
InChIInChI=1S/C12H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,5,7,9,11-13H,1-2,4,6,8,10H2
InChIKeyNYOUISNSFNXYQO-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.79
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 N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine?
The IUPAC name of N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine (CID 13474776) is N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine.
What is the SMILES notation for N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine?
The canonical SMILES for N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine is C1=CC(NC2C=CCCC2)CCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine?
The InChIKey is NYOUISNSFNXYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,5,7,9,11-13H,1-2,4,6,8,10H2.
What are the key properties of N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine?
N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylcyclohex-2-en-1-amine is sourced from PubChem (CID 13474776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).