N-cyclohex-2-en-1-ylaniline

C12H15N — CID 11182910

IUPACN-cyclohex-2-en-1-ylaniline
SMILESC1=CC(Nc2ccccc2)CCC1
InChIInChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-5,7-9,12-13H,2,6,10H2
InChIKeyXXODTFJGVBAOJB-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.21
Rot. Bonds2

About N-cyclohex-2-en-1-ylaniline

N-cyclohex-2-en-1-ylaniline (PubChem CID 11182910) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylaniline.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylaniline
PubChem CID11182910
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-cyclohex-2-en-1-ylaniline
SMILESC1=CC(Nc2ccccc2)CCC1
InChIInChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-5,7-9,12-13H,2,6,10H2
InChIKeyXXODTFJGVBAOJB-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.21
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-ylaniline?
The IUPAC name of N-cyclohex-2-en-1-ylaniline (CID 11182910) is N-cyclohex-2-en-1-ylaniline.
What is the SMILES notation for N-cyclohex-2-en-1-ylaniline?
The canonical SMILES for N-cyclohex-2-en-1-ylaniline is C1=CC(Nc2ccccc2)CCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylaniline?
The InChIKey is XXODTFJGVBAOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-5,7-9,12-13H,2,6,10H2.
What are the key properties of N-cyclohex-2-en-1-ylaniline?
N-cyclohex-2-en-1-ylaniline has a molecular weight of 173.26 g/mol, XLogP of 3.21, 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-ylaniline is sourced from PubChem (CID 11182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).