N-[(1R)-cyclohex-2-en-1-yl]aniline

C12H15N — CID 101110106

IUPACN-[(1R)-cyclohex-2-en-1-yl]aniline
SMILESC1=C[C@H](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/t12-/m0/s1
InChIKeyXXODTFJGVBAOJB-LBPRGKRZSA-N
MW173.26 g/mol
LogP3.21
Rot. Bonds2

About N-[(1R)-cyclohex-2-en-1-yl]aniline

N-[(1R)-cyclohex-2-en-1-yl]aniline (PubChem CID 101110106) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(1R)-cyclohex-2-en-1-yl]aniline.

Molecular Properties

Compound NameN-[(1R)-cyclohex-2-en-1-yl]aniline
PubChem CID101110106
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-[(1R)-cyclohex-2-en-1-yl]aniline
SMILESC1=C[C@H](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/t12-/m0/s1
InChIKeyXXODTFJGVBAOJB-LBPRGKRZSA-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'}

Analyze N-[(1R)-cyclohex-2-en-1-yl]aniline 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 N-[(1R)-cyclohex-2-en-1-yl]aniline?
The IUPAC name of N-[(1R)-cyclohex-2-en-1-yl]aniline (CID 101110106) is N-[(1R)-cyclohex-2-en-1-yl]aniline.
What is the SMILES notation for N-[(1R)-cyclohex-2-en-1-yl]aniline?
The canonical SMILES for N-[(1R)-cyclohex-2-en-1-yl]aniline is C1=C[C@H](Nc2ccccc2)CCC1.
What is the InChIKey of N-[(1R)-cyclohex-2-en-1-yl]aniline?
The InChIKey is XXODTFJGVBAOJB-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of N-[(1R)-cyclohex-2-en-1-yl]aniline?
N-[(1R)-cyclohex-2-en-1-yl]aniline 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-[(1R)-cyclohex-2-en-1-yl]aniline is sourced from PubChem (CID 101110106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).