5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane

C14H28N2 — CID 58163441

IUPAC5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane
SMILESCCC1CCC(C2NCC(CC)CN2)CC1
InChIInChI=1S/C14H28N2/c1-3-11-5-7-13(8-6-11)14-15-9-12(4-2)10-16-14/h11-16H,3-10H2,1-2H3
InChIKeyLFWMKASOACYTDU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.75
Rot. Bonds3

About 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane

5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane (PubChem CID 58163441) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane.

Molecular Properties

Compound Name5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane
PubChem CID58163441
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane
SMILESCCC1CCC(C2NCC(CC)CN2)CC1
InChIInChI=1S/C14H28N2/c1-3-11-5-7-13(8-6-11)14-15-9-12(4-2)10-16-14/h11-16H,3-10H2,1-2H3
InChIKeyLFWMKASOACYTDU-UHFFFAOYSA-N
XLogP2.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane 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 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane?
The IUPAC name of 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane (CID 58163441) is 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane.
What is the SMILES notation for 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane?
The canonical SMILES for 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane is CCC1CCC(C2NCC(CC)CN2)CC1.
What is the InChIKey of 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane?
The InChIKey is LFWMKASOACYTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-11-5-7-13(8-6-11)14-15-9-12(4-2)10-16-14/h11-16H,3-10H2,1-2H3.
What are the key properties of 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane?
5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane has a molecular weight of 224.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-ethylcyclohexyl)-1,3-diazinane is sourced from PubChem (CID 58163441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).