ethane;1-ethyl-4-hexylpiperazine;methane

C15H36N2 — CID 166111980

IUPACethane;1-ethyl-4-hexylpiperazine;methane
SMILESC.CC.CCCCCCN1CCN(CC)CC1
InChIInChI=1S/C12H26N2.C2H6.CH4/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-2;/h3-12H2,1-2H3;1-2H3;1H4
InChIKeyQZGATUSLPCFTPS-UHFFFAOYSA-N
MW244.47 g/mol
LogP3.87
Rot. Bonds6

About ethane;1-ethyl-4-hexylpiperazine;methane

ethane;1-ethyl-4-hexylpiperazine;methane (PubChem CID 166111980) has the molecular formula C15H36N2 and a molecular weight of 244.47 g/mol. Its IUPAC name is ethane;1-ethyl-4-hexylpiperazine;methane.

Molecular Properties

Compound Nameethane;1-ethyl-4-hexylpiperazine;methane
PubChem CID166111980
Molecular FormulaC15H36N2
Molecular Weight244.47 g/mol
Exact Mass244.29
IUPAC Nameethane;1-ethyl-4-hexylpiperazine;methane
SMILESC.CC.CCCCCCN1CCN(CC)CC1
InChIInChI=1S/C12H26N2.C2H6.CH4/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-2;/h3-12H2,1-2H3;1-2H3;1H4
InChIKeyQZGATUSLPCFTPS-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;1-ethyl-4-hexylpiperazine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-heptylpiperazine
CID 21399221
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
ethane;1-methyl-4-pentylpiperazine
CID 145099418
ethane;1-nonylpiperidine
CID 177011009
1-heptylazetidine
CID 134402356
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
1-hexyl-4-iodopiperazine
CID 167297549
acetylene;1-methyl-4-octylpiperazine
CID 144712197

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-hexylpiperazine;methane?
The IUPAC name of ethane;1-ethyl-4-hexylpiperazine;methane (CID 166111980) is ethane;1-ethyl-4-hexylpiperazine;methane.
What is the SMILES notation for ethane;1-ethyl-4-hexylpiperazine;methane?
The canonical SMILES for ethane;1-ethyl-4-hexylpiperazine;methane is C.CC.CCCCCCN1CCN(CC)CC1.
What is the InChIKey of ethane;1-ethyl-4-hexylpiperazine;methane?
The InChIKey is QZGATUSLPCFTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C2H6.CH4/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-2;/h3-12H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;1-ethyl-4-hexylpiperazine;methane?
ethane;1-ethyl-4-hexylpiperazine;methane has a molecular weight of 244.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-hexylpiperazine;methane is sourced from PubChem (CID 166111980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).