2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane

C15H24ClN3 — CID 163922367

IUPAC2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane
SMILESClC1NC(C2=CCCCC2)NC(C2CC=CCC2)N1
InChIInChI=1S/C15H24ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3,9,11,13-15,17-19H,2,4-8,10H2
InChIKeyRBMXCEBQELILSV-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.80
Rot. Bonds2

About 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane

2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane (PubChem CID 163922367) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane.

Molecular Properties

Compound Name2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane
PubChem CID163922367
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane
SMILESClC1NC(C2=CCCCC2)NC(C2CC=CCC2)N1
InChIInChI=1S/C15H24ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3,9,11,13-15,17-19H,2,4-8,10H2
InChIKeyRBMXCEBQELILSV-UHFFFAOYSA-N
XLogP2.80
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane 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-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane?
The IUPAC name of 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane (CID 163922367) is 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane.
What is the SMILES notation for 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane?
The canonical SMILES for 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane is ClC1NC(C2=CCCCC2)NC(C2CC=CCC2)N1.
What is the InChIKey of 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane?
The InChIKey is RBMXCEBQELILSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3,9,11,13-15,17-19H,2,4-8,10H2.
What are the key properties of 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane?
2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane has a molecular weight of 281.83 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclohexen-1-yl)-6-cyclohex-3-en-1-yl-1,3,5-triazinane is sourced from PubChem (CID 163922367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).