ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine

C17H36N2 — CID 165137041

IUPACethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine
SMILESCC.CCC1CCC(CN2CCNCC2(C)C)CC1
InChIInChI=1S/C15H30N2.C2H6/c1-4-13-5-7-14(8-6-13)11-17-10-9-16-12-15(17,2)3;1-2/h13-14,16H,4-12H2,1-3H3;1-2H3
InChIKeyHEMZTNOOIXLYLB-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds3

About ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine

ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine (PubChem CID 165137041) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Nameethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine
PubChem CID165137041
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Nameethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine
SMILESCC.CCC1CCC(CN2CCNCC2(C)C)CC1
InChIInChI=1S/C15H30N2.C2H6/c1-4-13-5-7-14(8-6-13)11-17-10-9-16-12-15(17,2)3;1-2/h13-14,16H,4-12H2,1-3H3;1-2H3
InChIKeyHEMZTNOOIXLYLB-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine 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 ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine (CID 165137041) is ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine is CC.CCC1CCC(CN2CCNCC2(C)C)CC1.
What is the InChIKey of ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is HEMZTNOOIXLYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C2H6/c1-4-13-5-7-14(8-6-13)11-17-10-9-16-12-15(17,2)3;1-2/h13-14,16H,4-12H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine?
ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-ethylcyclohexyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 165137041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).