ethane;ethylbenzene;methyl(piperidin-1-yl)diazene

C24H39N3 — CID 159103920

IUPACethane;ethylbenzene;methyl(piperidin-1-yl)diazene
SMILESC/N=N/N1CCCCC1.CC.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/2C8H10.C6H13N3.C2H6/c2*1-2-8-6-4-3-5-7-8;1-7-8-9-5-3-2-4-6-9;1-2/h2*3-7H,2H2,1H3;2-6H2,1H3;1-2H3/b;;8-7+;
InChIKeyKDQFPMGLFWEGAG-ZJMGZQSDSA-N
MW369.60 g/mol
LogP6.99
Rot. Bonds3

About ethane;ethylbenzene;methyl(piperidin-1-yl)diazene

ethane;ethylbenzene;methyl(piperidin-1-yl)diazene (PubChem CID 159103920) has the molecular formula C24H39N3 and a molecular weight of 369.60 g/mol. Its IUPAC name is ethane;ethylbenzene;methyl(piperidin-1-yl)diazene.

Molecular Properties

Compound Nameethane;ethylbenzene;methyl(piperidin-1-yl)diazene
PubChem CID159103920
Molecular FormulaC24H39N3
Molecular Weight369.60 g/mol
Exact Mass369.31
IUPAC Nameethane;ethylbenzene;methyl(piperidin-1-yl)diazene
SMILESC/N=N/N1CCCCC1.CC.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/2C8H10.C6H13N3.C2H6/c2*1-2-8-6-4-3-5-7-8;1-7-8-9-5-3-2-4-6-9;1-2/h2*3-7H,2H2,1H3;2-6H2,1H3;1-2H3/b;;8-7+;
InChIKeyKDQFPMGLFWEGAG-ZJMGZQSDSA-N
XLogP6.99
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.60
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze ethane;ethylbenzene;methyl(piperidin-1-yl)diazene 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;ethylbenzene;methyl(piperidin-1-yl)diazene?
The IUPAC name of ethane;ethylbenzene;methyl(piperidin-1-yl)diazene (CID 159103920) is ethane;ethylbenzene;methyl(piperidin-1-yl)diazene.
What is the SMILES notation for ethane;ethylbenzene;methyl(piperidin-1-yl)diazene?
The canonical SMILES for ethane;ethylbenzene;methyl(piperidin-1-yl)diazene is C/N=N/N1CCCCC1.CC.CCc1ccccc1.CCc1ccccc1.
What is the InChIKey of ethane;ethylbenzene;methyl(piperidin-1-yl)diazene?
The InChIKey is KDQFPMGLFWEGAG-ZJMGZQSDSA-N. The full InChI is InChI=1S/2C8H10.C6H13N3.C2H6/c2*1-2-8-6-4-3-5-7-8;1-7-8-9-5-3-2-4-6-9;1-2/h2*3-7H,2H2,1H3;2-6H2,1H3;1-2H3/b;;8-7+;.
What are the key properties of ethane;ethylbenzene;methyl(piperidin-1-yl)diazene?
ethane;ethylbenzene;methyl(piperidin-1-yl)diazene has a molecular weight of 369.60 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;methyl(piperidin-1-yl)diazene is sourced from PubChem (CID 159103920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).